(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid

C9H9F2NO2 — CID 7128426

IUPAC(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
SMILESN[C@@H](C(=O)O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H9F2NO2/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7H,12H2,(H,13,14)/t7-/m0/s1
InChIKeyJBEORUXTAHKJOG-ZETCQYMHSA-N
MW201.17 g/mol
LogP1.19
Rot. Bonds3

About (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid

(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid (PubChem CID 7128426) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
PubChem CID7128426
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
SMILESN[C@@H](C(=O)O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H9F2NO2/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7H,12H2,(H,13,14)/t7-/m0/s1
InChIKeyJBEORUXTAHKJOG-ZETCQYMHSA-N
XLogP1.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride
CID 178200685
2-amino-3,3-difluoro-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 44717264
(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
CID 168862010
(2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid
CID 10611751
3-amino-1,1-difluoro-1-phenylbutan-2-ol
CID 84669970
(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
CID 106702814
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
3-amino-2-fluoro-2-phenylbutanoic acid
CID 67114338
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
2-amino-3-(7-chlorodibenzofuran-3-yl)-3,3-difluoropropanoic acid
CID 135175541
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid (CID 7128426) is (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid is N[C@@H](C(=O)O)C(F)(F)c1ccccc1.
What is the InChIKey of (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid?
The InChIKey is JBEORUXTAHKJOG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7H,12H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid?
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid has a molecular weight of 201.17 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid is sourced from PubChem (CID 7128426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).