(2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid

C10H7F2NO2 — CID 129353721

IUPAC(2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid
SMILESN#C[C@@H](Cc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C10H7F2NO2/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-2,4,7H,3H2,(H,14,15)/t7-/m1/s1
InChIKeyLKRPEENNIIRZAJ-SSDOTTSWSA-N
MW211.17 g/mol
LogP1.73
Rot. Bonds3

About (2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid

(2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid (PubChem CID 129353721) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is (2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid
PubChem CID129353721
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name(2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid
SMILESN#C[C@@H](Cc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C10H7F2NO2/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-2,4,7H,3H2,(H,14,15)/t7-/m1/s1
InChIKeyLKRPEENNIIRZAJ-SSDOTTSWSA-N
XLogP1.73
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
CID 27282051
2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid
CID 23022300
(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid
CID 94371784
2-[(4-chloro-2-fluorophenyl)methyl]-3-oxopentanenitrile
CID 118295410
1-cyano-N-[(2,4-difluorophenyl)methyl]formamide
CID 115172177
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
[(1R)-1-cyano-2-(2,4-difluorophenyl)ethyl] 5-methylthiophene-2-carboxylate
CID 97352996

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid (CID 129353721) is (2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid is N#C[C@@H](Cc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of (2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid?
The InChIKey is LKRPEENNIIRZAJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H7F2NO2/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-2,4,7H,3H2,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid?
(2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid has a molecular weight of 211.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid is sourced from PubChem (CID 129353721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).