AV18331
1603111-54-1 | 3-(4-(Trifluoromethyl)pyridin-3-yl)propanoic acid
Manufacturer: A2B Chem
CAS Number: 1603111-54-1
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Catalog Number
AV18331
Chemical Name
3-(4-(Trifluoromethyl)pyridin-3-yl)propanoic acid
Cas Number
1603111-54-1
Molecular Formula
C9H8F3NO2
Molecular Weight
219.1605
Mdl Number
MFCD31555241
Smiles
OC(=O)CCc1cnccc1C(F)(F)F
Complexity
230
Covalently-Bonded Unit Count
1
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
1
Rotatable Bond Count
3
Xlogp3
1.5
Other Options
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Catalog Number: AV18331
Chemical Name: 3-(4-(Trifluoromethyl)pyridin-3-yl)propanoic acid
Cas Number: 1603111-54-1
Molecular Formula: C9H8F3NO2
Molecular Weight: 219.1605
Mdl Number: MFCD31555241
Smiles: OC(=O)CCc1cnccc1C(F)(F)F
Complexity: 230
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 15
Hydrogen Bond Acceptor Count: 6
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 3
Xlogp3: 1.5
Catalog Number:
AV18331
Chemical Name:
3-(4-(Trifluoromethyl)pyridin-3-yl)propanoic acid
Cas Number:
1603111-54-1
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
Mdl Number:
MFCD31555241
Smiles:
OC(=O)CCc1cnccc1C(F)(F)F
Complexity:
230
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
3
Xlogp3:
1.5
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: NC(=O)N1CCc2c1ccc1c2cc([nH]1)C(=O)O
Complexity: 387
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: 0.7
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
NC(=O)N1CCc2c1ccc1c2cc([nH]1)C(=O)O
Complexity:
387
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
0.7
Catalog Number: AV18333
Chemical Name: tert-butyl (3aR,6aR)-3a,6a-difluoro-3-oxo-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate
Cas Number: 1341039-32-4
Molecular Formula: C11H16F2N2O3
Molecular Weight: 262.2531
Mdl Number: MFCD22209655
Smiles: O=C(N1C[C@]2([C@](C1)(F)CNC2=O)F)OC(C)(C)C
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AV18333
Chemical Name:
tert-butyl (3aR,6aR)-3a,6a-difluoro-3-oxo-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate
Cas Number:
1341039-32-4
Molecular Formula:
C11H16F2N2O3
Molecular Weight:
262.2531
Mdl Number:
MFCD22209655
Smiles:
O=C(N1C[C@]2([C@](C1)(F)CNC2=O)F)OC(C)(C)C
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__
Catalog Number: AV18334
Chemical Name: 2,2,2-TRifluoro-1-(4-Methoxy-naphthalen-1-yl)-ethanone
Cas Number: 169295-54-9
Molecular Formula: C13H9F3O2
Molecular Weight: 254.2046
Mdl Number: MFCD07380807
Smiles: COc1ccc(c2c1cccc2)C(=O)C(F)(F)F
Complexity: 314
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 18
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: __
Rotatable Bond Count: 2
Xlogp3: 3.9
Catalog Number:
AV18334
Chemical Name:
2,2,2-TRifluoro-1-(4-Methoxy-naphthalen-1-yl)-ethanone
Cas Number:
169295-54-9
Molecular Formula:
C13H9F3O2
Molecular Weight:
254.2046
Mdl Number:
MFCD07380807
Smiles:
COc1ccc(c2c1cccc2)C(=O)C(F)(F)F
Complexity:
314
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
2
Xlogp3:
3.9