1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide

C11H14FNO — CID 150253223

IUPAC1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CC=CC(F)C1(C(N)=O)C1CC1
InChIInChI=1S/C11H14FNO/c1-7-3-2-4-9(12)11(7,10(13)14)8-5-6-8/h2-4,8-9H,5-6H2,1H3,(H2,13,14)
InChIKeyFZZRUINUKPOAIA-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.72
Rot. Bonds2

About 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide

1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 150253223) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID150253223
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CC=CC(F)C1(C(N)=O)C1CC1
InChIInChI=1S/C11H14FNO/c1-7-3-2-4-9(12)11(7,10(13)14)8-5-6-8/h2-4,8-9H,5-6H2,1H3,(H2,13,14)
InChIKeyFZZRUINUKPOAIA-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide (CID 150253223) is 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide is CC1=CC=CC(F)C1(C(N)=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is FZZRUINUKPOAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-3-2-4-9(12)11(7,10(13)14)8-5-6-8/h2-4,8-9H,5-6H2,1H3,(H2,13,14).
What are the key properties of 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide?
1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 195.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-2-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 150253223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).