3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide

C11H17F2NO — CID 126787138

IUPAC3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
SMILESC=C(C)CNC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C11H17F2NO/c1-8(2)7-14-10(15)9-4-3-5-11(12,13)6-9/h9H,1,3-7H2,2H3,(H,14,15)
InChIKeyNOJYLLUFYZRTRI-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.50
Rot. Bonds3

About 3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide

3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide (PubChem CID 126787138) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
PubChem CID126787138
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
SMILESC=C(C)CNC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C11H17F2NO/c1-8(2)7-14-10(15)9-4-3-5-11(12,13)6-9/h9H,1,3-7H2,2H3,(H,14,15)
InChIKeyNOJYLLUFYZRTRI-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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide (CID 126787138) is 3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide is C=C(C)CNC(=O)C1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
The InChIKey is NOJYLLUFYZRTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-8(2)7-14-10(15)9-4-3-5-11(12,13)6-9/h9H,1,3-7H2,2H3,(H,14,15).
What are the key properties of 3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-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 3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 126787138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).