(2R)-2-(4-fluorophenyl)propanoic acid

C9H9FO2 — CID 7005040

IUPAC(2R)-2-(4-fluorophenyl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)/t6-/m1/s1
InChIKeyIXSCGBODJGIJNN-ZCFIWIBFSA-N
MW168.17 g/mol
LogP2.01
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)propanoic acid

(2R)-2-(4-fluorophenyl)propanoic acid (PubChem CID 7005040) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)propanoic acid
PubChem CID7005040
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name(2R)-2-(4-fluorophenyl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)/t6-/m1/s1
InChIKeyIXSCGBODJGIJNN-ZCFIWIBFSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234637
2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid
CID 103234523
(2R)-2-(4-fluorophenyl)propanoate
CID 7005039
(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 10888841
3-(4-fluorophenyl)-2-hydroxybutanoic acid
CID 66287776
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-[4-(1,1-difluoroethyl)phenyl]propanoic acid
CID 84680228
2-(7-fluoro-5,5,10,10-tetraoxothianthren-2-yl)propanoic acid
CID 54323540
2-(4-fluorophenyl)-N'-methylpropanehydrazide
CID 116846978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-fluorophenyl)propanoic acid (CID 7005040) is (2R)-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-fluorophenyl)propanoic acid is C[C@@H](C(=O)O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)propanoic acid?
The InChIKey is IXSCGBODJGIJNN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)propanoic acid?
(2R)-2-(4-fluorophenyl)propanoic acid has a molecular weight of 168.17 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 7005040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).