(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one

C15H13F2NO — CID 105412057

IUPAC(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one
SMILESN[C@@H](C(=O)Cc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C15H13F2NO/c16-12-6-10(7-13(17)9-12)8-14(19)15(18)11-4-2-1-3-5-11/h1-7,9,15H,8,18H2/t15-/m1/s1
InChIKeyHCFMKFKSPUUZQV-OAHLLOKOSA-N
MW261.27 g/mol
LogP2.78
Rot. Bonds4

About (1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one

(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one (PubChem CID 105412057) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is (1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one
PubChem CID105412057
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one
SMILESN[C@@H](C(=O)Cc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C15H13F2NO/c16-12-6-10(7-13(17)9-12)8-14(19)15(18)11-4-2-1-3-5-11/h1-7,9,15H,8,18H2/t15-/m1/s1
InChIKeyHCFMKFKSPUUZQV-OAHLLOKOSA-N
XLogP2.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-amino-3-(4-hydroxyphenyl)-1-phenylpropan-2-one
CID 104891138
1-amino-3-(3-hydroxyphenyl)-1-phenylpropan-2-one
CID 116551129
(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
CID 104891227
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173
1-amino-3-(furan-3-yl)-1-phenylpropan-2-one
CID 116551301
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one
CID 116551306
1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one
CID 106871178
7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one
CID 148905393
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
methyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 10452973

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one?
The IUPAC name of (1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one (CID 105412057) is (1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one.
What is the SMILES notation for (1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one?
The canonical SMILES for (1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one is N[C@@H](C(=O)Cc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of (1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one?
The InChIKey is HCFMKFKSPUUZQV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-12-6-10(7-13(17)9-12)8-14(19)15(18)11-4-2-1-3-5-11/h1-7,9,15H,8,18H2/t15-/m1/s1.
What are the key properties of (1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one?
(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one has a molecular weight of 261.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one is sourced from PubChem (CID 105412057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).