AB63821
85068-29-7 | 3,5-Bis(trifluoromethyl)benzylamine
Manufacturer: A2B Chem
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CatalogNumber
AB63821
ChemicalName
3,5-Bis(trifluoromethyl)benzylamine
CasNumber
85068-29-7
MolecularFormula
C9H7F6N
MolecularWeight
243.149
MdlNumber
MFCD00009909
Smiles
NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AB63821
ChemicalName: 3,5-Bis(trifluoromethyl)benzylamine
CasNumber: 85068-29-7
MolecularFormula: C9H7F6N
MolecularWeight: 243.149
MdlNumber: MFCD00009909
Smiles: NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB63821
ChemicalName:
3,5-Bis(trifluoromethyl)benzylamine
CasNumber:
85068-29-7
MolecularFormula:
C9H7F6N
MolecularWeight:
243.149
MdlNumber:
MFCD00009909
Smiles:
NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AB63822
ChemicalName: 3,5-Bis(trifluoromethyl)phenol
CasNumber: 349-58-6
MolecularFormula: C8H4F6O
MolecularWeight: 230.1072
MdlNumber: MFCD00000386
Smiles: Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
AB63822
ChemicalName:
3,5-Bis(trifluoromethyl)phenol
CasNumber:
349-58-6
MolecularFormula:
C8H4F6O
MolecularWeight:
230.1072
MdlNumber:
MFCD00000386
Smiles:
Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 287
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
287
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: AB63824
ChemicalName: 3,5-Bis(trifluoromethyl)phenylacetonitrile
CasNumber: 85068-32-2
MolecularFormula: C10H5F6N
MolecularWeight: 253.1438
MdlNumber: MFCD00009904
Smiles: N#CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AB63824
ChemicalName:
3,5-Bis(trifluoromethyl)phenylacetonitrile
CasNumber:
85068-32-2
MolecularFormula:
C10H5F6N
MolecularWeight:
253.1438
MdlNumber:
MFCD00009904
Smiles:
N#CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.3