1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile

C11H8FNO — CID 64904818

IUPAC1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile
SMILESN#CC1(c2cccc(F)c2)CC(=O)C1
InChIInChI=1S/C11H8FNO/c12-9-3-1-2-8(4-9)11(7-13)5-10(14)6-11/h1-4H,5-6H2
InChIKeyHCRZGXMSHVOIKJ-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.95
Rot. Bonds1

About 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile

1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile (PubChem CID 64904818) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile
PubChem CID64904818
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile
SMILESN#CC1(c2cccc(F)c2)CC(=O)C1
InChIInChI=1S/C11H8FNO/c12-9-3-1-2-8(4-9)11(7-13)5-10(14)6-11/h1-4H,5-6H2
InChIKeyHCRZGXMSHVOIKJ-UHFFFAOYSA-N
XLogP1.95
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile 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

3-(3-fluorophenyl)oxetane-3-carbonitrile
CID 112707055
2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile
CID 65003209
1-(3-fluorophenyl)-3-hydroxycyclohexane-1-carbonitrile
CID 54491185
3-(3-fluorophenyl)-3-isocyanatocyclobutan-1-one
CID 115023830
1-(4-chlorophenyl)-3-oxocyclobutane-1-carbonitrile
CID 58246301
1-(3-chloro-2-fluorophenyl)-3-oxocyclobutane-1-carbonitrile
CID 82803595
3-oxo-1-(4-propan-2-ylphenyl)cyclobutane-1-carbonitrile
CID 64905636
1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile
CID 131374802
4-[4-cyano-4-(3-fluorophenyl)cyclohexyl]-1,4-diazepane-1-carboxylic acid
CID 166720996
1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile
CID 53402677
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 66875026

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile?
The IUPAC name of 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile (CID 64904818) is 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile is N#CC1(c2cccc(F)c2)CC(=O)C1.
What is the InChIKey of 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile?
The InChIKey is HCRZGXMSHVOIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c12-9-3-1-2-8(4-9)11(7-13)5-10(14)6-11/h1-4H,5-6H2.
What are the key properties of 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile?
1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile has a molecular weight of 189.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-oxocyclobutane-1-carbonitrile is sourced from PubChem (CID 64904818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).