AF67866
39995-51-2 | 2,2,2-Trifluoro-N-[(1S)-1-phenylethyl]acetamide
Manufacturer: A2B Chem
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CatalogNumber
AF67866
ChemicalName
2,2,2-Trifluoro-N-[(1S)-1-phenylethyl]acetamide
CasNumber
39995-51-2
MolecularFormula
C10H10F3NO
MolecularWeight
217.1877
MdlNumber
MFCD00192526
Smiles
C[C@@H](c1ccccc1)NC(=O)C(F)(F)F
Complexity
221
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AF67866
ChemicalName: 2,2,2-Trifluoro-N-[(1S)-1-phenylethyl]acetamide
CasNumber: 39995-51-2
MolecularFormula: C10H10F3NO
MolecularWeight: 217.1877
MdlNumber: MFCD00192526
Smiles: C[C@@H](c1ccccc1)NC(=O)C(F)(F)F
Complexity: 221
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AF67866
ChemicalName:
2,2,2-Trifluoro-N-[(1S)-1-phenylethyl]acetamide
CasNumber:
39995-51-2
MolecularFormula:
C10H10F3NO
MolecularWeight:
217.1877
MdlNumber:
MFCD00192526
Smiles:
C[C@@H](c1ccccc1)NC(=O)C(F)(F)F
Complexity:
221
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: [O-]C(=O)[C@]1(C)CCC[NH2+]1
Complexity: __
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Smiles:
[O-]C(=O)[C@]1(C)CCC[NH2+]1
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C1NCC[C@@H]1[Si](C)(C)C
Complexity: __
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Smiles:
O=C1NCC[C@@H]1[Si](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)[C@H](Cc1ccc(cc1)Nc1nccc2c1cncc2)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)[C@H](Cc1ccc(cc1)Nc1nccc2c1cncc2)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__