4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide

C11H17F2NO — CID 155274374

IUPAC4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCC1(C(=O)NC)CCC(F)(F)CC1
InChIInChI=1S/C11H17F2NO/c1-3-4-10(9(15)14-2)5-7-11(12,13)8-6-10/h3H,1,4-8H2,2H3,(H,14,15)
InChIKeyMOQRLGKMDCWETA-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.50
Rot. Bonds3

About 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide

4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide (PubChem CID 155274374) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide
PubChem CID155274374
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCC1(C(=O)NC)CCC(F)(F)CC1
InChIInChI=1S/C11H17F2NO/c1-3-4-10(9(15)14-2)5-7-11(12,13)8-6-10/h3H,1,4-8H2,2H3,(H,14,15)
InChIKeyMOQRLGKMDCWETA-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-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 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide (CID 155274374) is 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide is C=CCC1(C(=O)NC)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide?
The InChIKey is MOQRLGKMDCWETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-3-4-10(9(15)14-2)5-7-11(12,13)8-6-10/h3H,1,4-8H2,2H3,(H,14,15).
What are the key properties of 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide?
4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide has a molecular weight of 217.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide is sourced from PubChem (CID 155274374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).