(1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide

C11H15F2NO — CID 129348680

IUPAC(1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide
SMILESC[C@]1(NC(=O)[C@@H]2CC2(F)F)CC=CCC1
InChIInChI=1S/C11H15F2NO/c1-10(5-3-2-4-6-10)14-9(15)8-7-11(8,12)13/h2-3,8H,4-7H2,1H3,(H,14,15)/t8-,10-/m0/s1
InChIKeyKHHOWVUWJWDENE-WPRPVWTQSA-N
MW215.24 g/mol
LogP2.26
Rot. Bonds2

About (1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide

(1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide (PubChem CID 129348680) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide
PubChem CID129348680
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide
SMILESC[C@]1(NC(=O)[C@@H]2CC2(F)F)CC=CCC1
InChIInChI=1S/C11H15F2NO/c1-10(5-3-2-4-6-10)14-9(15)8-7-11(8,12)13/h2-3,8H,4-7H2,1H3,(H,14,15)/t8-,10-/m0/s1
InChIKeyKHHOWVUWJWDENE-WPRPVWTQSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.26
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

3,3-difluoro-N-[(1S)-1-methylcyclohex-3-en-1-yl]cyclobutane-1-carboxamide
CID 129348514
N-(1-methylcyclohex-3-en-1-yl)spiro[3.3]heptane-2-carboxamide
CID 128923951
N'-(2,2-difluorocyclopropanecarbonyl)-2,2-dimethylcyclopropane-1-carbohydrazide
CID 90937535
N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide
CID 128670697
2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide
CID 130774809
(1R)-2,2-difluorocyclopropane-1-carbohydrazide
CID 134522612
(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 167134960
N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide
CID 13255391
N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine
CID 130871052
N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide
CID 130615147
4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027410

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide (CID 129348680) is (1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide is C[C@]1(NC(=O)[C@@H]2CC2(F)F)CC=CCC1.
What is the InChIKey of (1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide?
The InChIKey is KHHOWVUWJWDENE-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-10(5-3-2-4-6-10)14-9(15)8-7-11(8,12)13/h2-3,8H,4-7H2,1H3,(H,14,15)/t8-,10-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide?
(1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide has a molecular weight of 215.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129348680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).