(3-cyano-4-fluorophenyl) formate

C8H4FNO2 — CID 174507677

IUPAC(3-cyano-4-fluorophenyl) formate
SMILESN#Cc1cc(OC=O)ccc1F
InChIInChI=1S/C8H4FNO2/c9-8-2-1-7(12-5-11)3-6(8)4-10/h1-3,5H
InChIKeyJSVJAKYOFYNKKT-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.23
Rot. Bonds2

About (3-cyano-4-fluorophenyl) formate

(3-cyano-4-fluorophenyl) formate (PubChem CID 174507677) has the molecular formula C8H4FNO2 and a molecular weight of 165.12 g/mol. Its IUPAC name is (3-cyano-4-fluorophenyl) formate.

Molecular Properties

Compound Name(3-cyano-4-fluorophenyl) formate
PubChem CID174507677
Molecular FormulaC8H4FNO2
Molecular Weight165.12 g/mol
Exact Mass165.02
IUPAC Name(3-cyano-4-fluorophenyl) formate
SMILESN#Cc1cc(OC=O)ccc1F
InChIInChI=1S/C8H4FNO2/c9-8-2-1-7(12-5-11)3-6(8)4-10/h1-3,5H
InChIKeyJSVJAKYOFYNKKT-UHFFFAOYSA-N
XLogP1.23
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (3-cyano-4-fluorophenyl) formate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-cyano-4-fluorophenyl) formate?
The IUPAC name of (3-cyano-4-fluorophenyl) formate (CID 174507677) is (3-cyano-4-fluorophenyl) formate.
What is the SMILES notation for (3-cyano-4-fluorophenyl) formate?
The canonical SMILES for (3-cyano-4-fluorophenyl) formate is N#Cc1cc(OC=O)ccc1F.
What is the InChIKey of (3-cyano-4-fluorophenyl) formate?
The InChIKey is JSVJAKYOFYNKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO2/c9-8-2-1-7(12-5-11)3-6(8)4-10/h1-3,5H.
What are the key properties of (3-cyano-4-fluorophenyl) formate?
(3-cyano-4-fluorophenyl) formate has a molecular weight of 165.12 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-4-fluorophenyl) formate is sourced from PubChem (CID 174507677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).