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

C11H17F2NO — CID 129481915

IUPAC(1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
SMILESC=C(C)CNC(=O)[C@@H]1CCCC(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)/t9-/m1/s1
InChIKeyNOJYLLUFYZRTRI-SECBINFHSA-N
MW217.26 g/mol
LogP2.50
Rot. Bonds3

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

(1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide (PubChem CID 129481915) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is (1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
PubChem CID129481915
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
SMILESC=C(C)CNC(=O)[C@@H]1CCCC(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)/t9-/m1/s1
InChIKeyNOJYLLUFYZRTRI-SECBINFHSA-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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Related Compounds

2-cyclohexyl-N-prop-2-enylacetamide
CID 4254190
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932076
4,4-difluoro-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 81932123
N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 89487170
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89760500
2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide
CID 90155064
4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 91223950
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide
CID 118894918
3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 130487780
N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 141383089
trans-(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 142979898
ethane;4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 144326122

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
The IUPAC name of (1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide (CID 129481915) is (1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
The canonical SMILES for (1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide is C=C(C)CNC(=O)[C@@H]1CCCC(F)(F)C1.
What is the InChIKey of (1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
The InChIKey is NOJYLLUFYZRTRI-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
(1R)-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 (1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 129481915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).