1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide

C11H14FNO — CID 129056568

IUPAC1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide
SMILESNC(=O)C1(C2=CC(F)CC=C2)CCC1
InChIInChI=1S/C11H14FNO/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3,7,9H,2,4-6H2,(H2,13,14)
InChIKeyFAKJDHNLNHOWEV-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.87
Rot. Bonds2

About 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide

1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide (PubChem CID 129056568) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide
PubChem CID129056568
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide
SMILESNC(=O)C1(C2=CC(F)CC=C2)CCC1
InChIInChI=1S/C11H14FNO/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3,7,9H,2,4-6H2,(H2,13,14)
InChIKeyFAKJDHNLNHOWEV-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide 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

1-Methylcyclohex-3-ene-1-carboximidic acid
CID 3052840
1-(2-Chloro-5-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide
CID 129056487
1-(4,6-Difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide
CID 129056505
2-(5-Fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide
CID 139765755
2-(4-Fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide
CID 139765773
1-Cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide
CID 150253223
3-Cyclohexene-1-carboxamide, 1-ethyl-
CID 66765185
1-(3-Bromocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide
CID 129056591
1,5-Dimethylcyclohexa-2,4-diene-1-carboxamide
CID 141068503
2-(1,2-Dimethylcyclohexa-2,4-dien-1-yl)acetamide
CID 141206714
1-(4-Bromocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide
CID 144052876
1-Propylcyclohexa-2,4-diene-1-carboxamide
CID 152114718

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide (CID 129056568) is 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide is NC(=O)C1(C2=CC(F)CC=C2)CCC1.
What is the InChIKey of 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide?
The InChIKey is FAKJDHNLNHOWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3,7,9H,2,4-6H2,(H2,13,14).
What are the key properties of 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide?
1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide has a molecular weight of 195.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 129056568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).