(2R)-2-cyano-3-fluoro-2-methylpropanoic acid

C5H6FNO2 — CID 177369044

IUPAC(2R)-2-cyano-3-fluoro-2-methylpropanoic acid
SMILESC[C@](C#N)(CF)C(=O)O
InChIInChI=1S/C5H6FNO2/c1-5(2-6,3-7)4(8)9/h2H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyFSGNNLHJJDCERJ-RXMQYKEDSA-N
MW131.11 g/mol
LogP0.57
Rot. Bonds2

About (2R)-2-cyano-3-fluoro-2-methylpropanoic acid

(2R)-2-cyano-3-fluoro-2-methylpropanoic acid (PubChem CID 177369044) has the molecular formula C5H6FNO2 and a molecular weight of 131.11 g/mol. Its IUPAC name is (2R)-2-cyano-3-fluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-cyano-3-fluoro-2-methylpropanoic acid
PubChem CID177369044
Molecular FormulaC5H6FNO2
Molecular Weight131.11 g/mol
Exact Mass131.04
IUPAC Name(2R)-2-cyano-3-fluoro-2-methylpropanoic acid
SMILESC[C@](C#N)(CF)C(=O)O
InChIInChI=1S/C5H6FNO2/c1-5(2-6,3-7)4(8)9/h2H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyFSGNNLHJJDCERJ-RXMQYKEDSA-N
XLogP0.57
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-cyano-3-fluoro-2-methylpropanoic 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

2-cyano-2-methyl-3-methylsulfanylpropanoic acid
CID 86662610
2-cyano-2-methyldecanoic acid
CID 22420429
2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid
CID 75532046
2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
2-cyano-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 82127435
acetonitrile;bis(2,2,2-trifluoroacetic acid)
CID 162064133
(E)-2-cyano-5-fluoro-4,4-dimethylpent-2-enoic acid
CID 177321590
2-(2-chloroethyl)-2-methyl-3-oxobutanenitrile
CID 83262352
2-cyano-3-ethyl-2,3-dimethylbutanedioic acid
CID 57185326
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-3,4,5-trifluoro-4-methylpent-2-enoic acid
CID 173399883

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-3-fluoro-2-methylpropanoic acid?
The IUPAC name of (2R)-2-cyano-3-fluoro-2-methylpropanoic acid (CID 177369044) is (2R)-2-cyano-3-fluoro-2-methylpropanoic acid.
What is the SMILES notation for (2R)-2-cyano-3-fluoro-2-methylpropanoic acid?
The canonical SMILES for (2R)-2-cyano-3-fluoro-2-methylpropanoic acid is C[C@](C#N)(CF)C(=O)O.
What is the InChIKey of (2R)-2-cyano-3-fluoro-2-methylpropanoic acid?
The InChIKey is FSGNNLHJJDCERJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H6FNO2/c1-5(2-6,3-7)4(8)9/h2H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-2-cyano-3-fluoro-2-methylpropanoic acid?
(2R)-2-cyano-3-fluoro-2-methylpropanoic acid has a molecular weight of 131.11 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-3-fluoro-2-methylpropanoic acid is sourced from PubChem (CID 177369044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).