(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid

C9H9FO3 — CID 55255014

IUPAC(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
SMILESC[C@@](O)(C(=O)O)c1ccccc1F
InChIInChI=1S/C9H9FO3/c1-9(13,8(11)12)6-4-2-3-5-7(6)10/h2-5,13H,1H3,(H,11,12)/t9-/m0/s1
InChIKeyBZQSEQGFEYZGRS-VIFPVBQESA-N
MW184.17 g/mol
LogP1.12
Rot. Bonds2

About (2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid

(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid (PubChem CID 55255014) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
PubChem CID55255014
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
SMILESC[C@@](O)(C(=O)O)c1ccccc1F
InChIInChI=1S/C9H9FO3/c1-9(13,8(11)12)6-4-2-3-5-7(6)10/h2-5,13H,1H3,(H,11,12)/t9-/m0/s1
InChIKeyBZQSEQGFEYZGRS-VIFPVBQESA-N
XLogP1.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 55232992
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
CID 115001938
(3S)-3-amino-3-(2-fluorophenyl)butan-2-one
CID 122592093
2-hydroxy-2-(2-phenoxyphenyl)propanoic acid
CID 174597683
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
CID 95298200
2-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 168736996
2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid
CID 114993824
2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 114990361
[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid
CID 66877184

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid (CID 55255014) is (2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid is C[C@@](O)(C(=O)O)c1ccccc1F.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid?
The InChIKey is BZQSEQGFEYZGRS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9FO3/c1-9(13,8(11)12)6-4-2-3-5-7(6)10/h2-5,13H,1H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid?
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid has a molecular weight of 184.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 55255014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).