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

C9H10ClF2NO2 — CID 178200685

IUPAC(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](C(=O)O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H9F2NO2.ClH/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6;/h1-5,7H,12H2,(H,13,14);1H/t7-;/m0./s1
InChIKeyYDQPKNOOMBZRIL-FJXQXJEOSA-N
MW237.63 g/mol
LogP1.61
Rot. Bonds3

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

(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride (PubChem CID 178200685) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride
PubChem CID178200685
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](C(=O)O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H9F2NO2.ClH/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6;/h1-5,7H,12H2,(H,13,14);1H/t7-;/m0./s1
InChIKeyYDQPKNOOMBZRIL-FJXQXJEOSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
CID 7128426
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;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride (CID 178200685) is (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride is Cl.N[C@@H](C(=O)O)C(F)(F)c1ccccc1.
What is the InChIKey of (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride?
The InChIKey is YDQPKNOOMBZRIL-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H9F2NO2.ClH/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6;/h1-5,7H,12H2,(H,13,14);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride?
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride has a molecular weight of 237.63 g/mol, XLogP of 1.61, 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;hydrochloride is sourced from PubChem (CID 178200685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).