(2R)-2-(4-fluorophenyl)propanoate

C9H8FO2- — CID 7005039

IUPAC(2R)-2-(4-fluorophenyl)propanoate
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)/p-1/t6-/m1/s1
InChIKeyIXSCGBODJGIJNN-ZCFIWIBFSA-M
MW167.16 g/mol
LogP0.68
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)propanoate

(2R)-2-(4-fluorophenyl)propanoate (PubChem CID 7005039) has the molecular formula C9H8FO2- and a molecular weight of 167.16 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)propanoate
PubChem CID7005039
Molecular FormulaC9H8FO2-
Molecular Weight167.16 g/mol
Exact Mass167.05
IUPAC Name(2R)-2-(4-fluorophenyl)propanoate
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)/p-1/t6-/m1/s1
InChIKeyIXSCGBODJGIJNN-ZCFIWIBFSA-M
XLogP0.68
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
disodium;2-(4-oxidophenyl)propanoate
CID 171474664
azanium 2-phenylpropanoate
CID 146635852
cesium 2-phenylpropanoate
CID 23721405
2-(4-propan-2-ylsulfanylphenyl)propanoate
CID 78422660
2-(4-amino-3-fluorophenyl)propanoate
CID 86609171
(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 44629566
2-(4-fluorophenyl)-N'-methylpropanehydrazide
CID 116846978
2-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234637
(2S)-2-(4-bromophenyl)propanoate;[(1R)-1-phenylethyl]azanium
CID 86609664
1,1-bis(4-fluorophenyl)-3-methylbutan-2-one
CID 58378623
(2S)-2-(4-fluorophenyl)butanedioate
CID 6926195

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)propanoate?
The IUPAC name of (2R)-2-(4-fluorophenyl)propanoate (CID 7005039) is (2R)-2-(4-fluorophenyl)propanoate.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)propanoate?
The canonical SMILES for (2R)-2-(4-fluorophenyl)propanoate is C[C@@H](C(=O)[O-])c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)propanoate?
The InChIKey is IXSCGBODJGIJNN-ZCFIWIBFSA-M. 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)/p-1/t6-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)propanoate?
(2R)-2-(4-fluorophenyl)propanoate has a molecular weight of 167.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)propanoate is sourced from PubChem (CID 7005039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).