4-cyano-2-fluorobenzoyl fluoride

C8H3F2NO — CID 11469289

IUPAC4-cyano-2-fluorobenzoyl fluoride
SMILESN#Cc1ccc(C(=O)F)c(F)c1
InChIInChI=1S/C8H3F2NO/c9-7-3-5(4-11)1-2-6(7)8(10)12/h1-3H
InChIKeyXPUZBRNQOPRWQM-UHFFFAOYSA-N
MW167.11 g/mol
LogP1.81
Rot. Bonds1

About 4-cyano-2-fluorobenzoyl fluoride

4-cyano-2-fluorobenzoyl fluoride (PubChem CID 11469289) has the molecular formula C8H3F2NO and a molecular weight of 167.11 g/mol. Its IUPAC name is 4-cyano-2-fluorobenzoyl fluoride.

Molecular Properties

Compound Name4-cyano-2-fluorobenzoyl fluoride
PubChem CID11469289
Molecular FormulaC8H3F2NO
Molecular Weight167.11 g/mol
Exact Mass167.02
IUPAC Name4-cyano-2-fluorobenzoyl fluoride
SMILESN#Cc1ccc(C(=O)F)c(F)c1
InChIInChI=1S/C8H3F2NO/c9-7-3-5(4-11)1-2-6(7)8(10)12/h1-3H
InChIKeyXPUZBRNQOPRWQM-UHFFFAOYSA-N
XLogP1.81
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyano-2-fluorobenzoyl fluoride 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

4-(6-chloropyridine-2-carbonyl)-3-fluorobenzonitrile
CID 175517371
5-cyano-2-fluorobenzamide;hydrochloride
CID 165153570
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
4-cyano-2-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 7393089
tert-butyl N-[(4-cyano-2-fluorobenzoyl)amino]carbamate
CID 171840016
3-fluoro-4-iodobenzonitrile
CID 24721521
4-cyano-2-fluorobenzenesulfonic acid
CID 58462884
5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
CID 61395759
[4-[(4-cyano-2-fluorobenzoyl)amino]phenyl] acetate
CID 23881794
[2-(4-fluoroanilino)-2-oxoethyl] 4-cyano-2-fluorobenzoate
CID 126208095
4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide
CID 2987506
4-cyano-N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 2995098

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluorobenzoyl fluoride?
The IUPAC name of 4-cyano-2-fluorobenzoyl fluoride (CID 11469289) is 4-cyano-2-fluorobenzoyl fluoride.
What is the SMILES notation for 4-cyano-2-fluorobenzoyl fluoride?
The canonical SMILES for 4-cyano-2-fluorobenzoyl fluoride is N#Cc1ccc(C(=O)F)c(F)c1.
What is the InChIKey of 4-cyano-2-fluorobenzoyl fluoride?
The InChIKey is XPUZBRNQOPRWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2NO/c9-7-3-5(4-11)1-2-6(7)8(10)12/h1-3H.
What are the key properties of 4-cyano-2-fluorobenzoyl fluoride?
4-cyano-2-fluorobenzoyl fluoride has a molecular weight of 167.11 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluorobenzoyl fluoride is sourced from PubChem (CID 11469289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).