(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid

C11H13FO2 — CID 10888841

IUPAC(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyYBQLHBYGMUXCEW-SNVBAGLBSA-N
MW196.22 g/mol
LogP2.65
Rot. Bonds3

About (2R)-2-(4-fluorophenyl)-3-methylbutanoic acid

(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid (PubChem CID 10888841) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
PubChem CID10888841
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyYBQLHBYGMUXCEW-SNVBAGLBSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
CID 56635830
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
CID 70402898
(2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoic acid
CID 13118566
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
CID 45117186
2-(3,4-dimethylphenyl)-3-methylbutanoic acid
CID 12604022
3-(4-fluorophenyl)-2-hydroxybutanoic acid
CID 66287776
2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
CID 110316805
2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutanoic acid
CID 107289983
2-[4-(2,2-difluoroethoxy)phenyl]-3-methylbutanoic acid
CID 57255635
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanoic acid
CID 66171694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-3-methylbutanoic acid?
The IUPAC name of (2R)-2-(4-fluorophenyl)-3-methylbutanoic acid (CID 10888841) is (2R)-2-(4-fluorophenyl)-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-3-methylbutanoic acid is CC(C)[C@@H](C(=O)O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-3-methylbutanoic acid?
The InChIKey is YBQLHBYGMUXCEW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-3-methylbutanoic acid?
(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid has a molecular weight of 196.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-3-methylbutanoic acid is sourced from PubChem (CID 10888841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).