AA34341
125996-99-8 | 1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA34341
ChemicalName
1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one
CasNumber
125996-99-8
MolecularFormula
C12H11F3O
MolecularWeight
228.2103
MdlNumber
MFCD20290692
Smiles
C=CCCC(=O)c1cccc(c1)C(F)(F)F
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AA34341
ChemicalName: 1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one
CasNumber: 125996-99-8
MolecularFormula: C12H11F3O
MolecularWeight: 228.2103
MdlNumber: MFCD20290692
Smiles: C=CCCC(=O)c1cccc(c1)C(F)(F)F
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AA34341
ChemicalName:
1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one
CasNumber:
125996-99-8
MolecularFormula:
C12H11F3O
MolecularWeight:
228.2103
MdlNumber:
MFCD20290692
Smiles:
C=CCCC(=O)c1cccc(c1)C(F)(F)F
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)C(F)(F)F)Cc1ccncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)C(F)(F)F)Cc1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA34344
ChemicalName: (4R,6R)-tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
CasNumber: 125995-13-3
MolecularFormula: C14H27NO4
MolecularWeight: 273.3685
MdlNumber: MFCD07369252
Smiles: NCC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: 1.1
CatalogNumber:
AA34344
ChemicalName:
(4R,6R)-tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
CasNumber:
125995-13-3
MolecularFormula:
C14H27NO4
MolecularWeight:
273.3685
MdlNumber:
MFCD07369252
Smiles:
NCC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2ccccc2)C(=O)Nc2ccccc2)OC(=O)C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2ccccc2)C(=O)Nc2ccccc2)OC(=O)C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__