2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide

C9H14FNO — CID 91497194

IUPAC2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide
SMILESC=C1CCC(C(=O)NC)C(F)C1
InChIInChI=1S/C9H14FNO/c1-6-3-4-7(8(10)5-6)9(12)11-2/h7-8H,1,3-5H2,2H3,(H,11,12)
InChIKeyKLXQGKGSDJURQH-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.43
Rot. Bonds1

About 2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide

2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide (PubChem CID 91497194) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide
PubChem CID91497194
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide
SMILESC=C1CCC(C(=O)NC)C(F)C1
InChIInChI=1S/C9H14FNO/c1-6-3-4-7(8(10)5-6)9(12)11-2/h7-8H,1,3-5H2,2H3,(H,11,12)
InChIKeyKLXQGKGSDJURQH-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-methyl-4-methylidenecyclohexane-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 2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide (CID 91497194) is 2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide is C=C1CCC(C(=O)NC)C(F)C1.
What is the InChIKey of 2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide?
The InChIKey is KLXQGKGSDJURQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-6-3-4-7(8(10)5-6)9(12)11-2/h7-8H,1,3-5H2,2H3,(H,11,12).
What are the key properties of 2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide?
2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide has a molecular weight of 171.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-methylidenecyclohexane-1-carboxamide is sourced from PubChem (CID 91497194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).