(2S)-3-fluoro-2-methylbutanoic acid

C5H9FO2 — CID 163728037

IUPAC(2S)-3-fluoro-2-methylbutanoic acid
SMILESCC(F)[C@@H](C)C(=O)O
InChIInChI=1S/C5H9FO2/c1-3(4(2)6)5(7)8/h3-4H,1-2H3,(H,7,8)/t3-,4?/m1/s1
InChIKeyKXGZUAXPCRIACT-SYPWQXSBSA-N
MW120.12 g/mol
LogP1.07
Rot. Bonds2

About (2S)-3-fluoro-2-methylbutanoic acid

(2S)-3-fluoro-2-methylbutanoic acid (PubChem CID 163728037) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is (2S)-3-fluoro-2-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-3-fluoro-2-methylbutanoic acid
PubChem CID163728037
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Name(2S)-3-fluoro-2-methylbutanoic acid
SMILESCC(F)[C@@H](C)C(=O)O
InChIInChI=1S/C5H9FO2/c1-3(4(2)6)5(7)8/h3-4H,1-2H3,(H,7,8)/t3-,4?/m1/s1
InChIKeyKXGZUAXPCRIACT-SYPWQXSBSA-N
XLogP1.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-3-fluoro-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alumane;2-fluoropropanoic acid
CID 173229818
2,3-dimethyl-4-oxopentanoic acid
CID 15560603
2,2-difluoroacetic acid;gallane
CID 173230413
2-methylpropanoic acid
CID 173073412
copper;2,2-difluoroacetic acid
CID 88507984
(2R)-4-methoxy-3-methoxycarbonyl-2-methyl-4-oxobutanoic acid
CID 134916986
(4S)-4-hydroxy-2,3-dimethylpentanoic acid
CID 146599798
2-amino-3-methylbutanedioic acid
CID 852
(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
CID 95004211
fluoromethane;2-hydroxypropanoic acid
CID 174688580
5-amino-3-(difluoromethyl)-2-methyl-4-oxopentanoic acid
CID 88769763
4,4-difluoro-2-methyl-3-oxobutanoic acid
CID 129278724

Frequently Asked Questions

What is the IUPAC name of (2S)-3-fluoro-2-methylbutanoic acid?
The IUPAC name of (2S)-3-fluoro-2-methylbutanoic acid (CID 163728037) is (2S)-3-fluoro-2-methylbutanoic acid.
What is the SMILES notation for (2S)-3-fluoro-2-methylbutanoic acid?
The canonical SMILES for (2S)-3-fluoro-2-methylbutanoic acid is CC(F)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-3-fluoro-2-methylbutanoic acid?
The InChIKey is KXGZUAXPCRIACT-SYPWQXSBSA-N. The full InChI is InChI=1S/C5H9FO2/c1-3(4(2)6)5(7)8/h3-4H,1-2H3,(H,7,8)/t3-,4?/m1/s1.
What are the key properties of (2S)-3-fluoro-2-methylbutanoic acid?
(2S)-3-fluoro-2-methylbutanoic acid has a molecular weight of 120.12 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-fluoro-2-methylbutanoic acid is sourced from PubChem (CID 163728037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).