2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid

C9H6FNO3 — CID 83441761

IUPAC2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid
SMILESN#Cc1ccc(F)c(C(O)C(=O)O)c1
InChIInChI=1S/C9H6FNO3/c10-7-2-1-5(4-11)3-6(7)8(12)9(13)14/h1-3,8,12H,(H,13,14)
InChIKeyRETJBOKNTWIWFZ-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.82
Rot. Bonds2

About 2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid

2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid (PubChem CID 83441761) has the molecular formula C9H6FNO3 and a molecular weight of 195.15 g/mol. Its IUPAC name is 2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid
PubChem CID83441761
Molecular FormulaC9H6FNO3
Molecular Weight195.15 g/mol
Exact Mass195.03
IUPAC Name2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid
SMILESN#Cc1ccc(F)c(C(O)C(=O)O)c1
InChIInChI=1S/C9H6FNO3/c10-7-2-1-5(4-11)3-6(7)8(12)9(13)14/h1-3,8,12H,(H,13,14)
InChIKeyRETJBOKNTWIWFZ-UHFFFAOYSA-N
XLogP0.82
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid (CID 83441761) is 2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid is N#Cc1ccc(F)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid?
The InChIKey is RETJBOKNTWIWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO3/c10-7-2-1-5(4-11)3-6(7)8(12)9(13)14/h1-3,8,12H,(H,13,14).
What are the key properties of 2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid?
2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid has a molecular weight of 195.15 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-fluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 83441761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).