N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H18F3NO — CID 114618770

IUPACN-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC=C(C)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3NO/c1-8(2)7-16-11(17)9-5-3-4-6-10(9)12(13,14)15/h9-10H,1,3-7H2,2H3,(H,16,17)
InChIKeyFVSWUHNNMZKPDP-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.05
Rot. Bonds3

About N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 114618770) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID114618770
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC=C(C)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3NO/c1-8(2)7-16-11(17)9-5-3-4-6-10(9)12(13,14)15/h9-10H,1,3-7H2,2H3,(H,16,17)
InChIKeyFVSWUHNNMZKPDP-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-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

N-methyl-3-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 176432926
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 68084954
4,4-difluoro-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 81932123
4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 91223950
trans-(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 142979898
(1S)-N-(2-fluoroethyl)-2-propylcyclohexane-1-carboxamide
CID 144270328
2-(4,4-difluorocyclohexyl)-N-ethylacetamide
CID 156093101
1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 162563395
N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
CID 169226618
N-[(Z)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
CID 169226634
N-butyl-3,3-difluorocyclohexane-1-carboxamide
CID 170709230
(1S)-2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 173505523

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 114618770) is N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is C=C(C)CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is FVSWUHNNMZKPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-8(2)7-16-11(17)9-5-3-4-6-10(9)12(13,14)15/h9-10H,1,3-7H2,2H3,(H,16,17).
What are the key properties of N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 249.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114618770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).