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

C9H13F2NO — CID 127001204

IUPAC2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide
SMILESC=C(C)CNC(=O)C1C(C)C1(F)F
InChIInChI=1S/C9H13F2NO/c1-5(2)4-12-8(13)7-6(3)9(7,10)11/h6-7H,1,4H2,2-3H3,(H,12,13)
InChIKeyWFSAAHBCGJSNAY-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.58
Rot. Bonds3

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

2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide (PubChem CID 127001204) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide
PubChem CID127001204
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide
SMILESC=C(C)CNC(=O)C1C(C)C1(F)F
InChIInChI=1S/C9H13F2NO/c1-5(2)4-12-8(13)7-6(3)9(7,10)11/h6-7H,1,4H2,2-3H3,(H,12,13)
InChIKeyWFSAAHBCGJSNAY-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.58
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

N-(5,5-difluoropentyl)-2-methylprop-2-enamide
CID 89332580
4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 123886439
2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide
CID 129257449
2-(2,2-difluorocyclopropyl)-N-ethylacetamide
CID 129280946
2-cyclopropyl-N-(2,2-difluoroethyl)acetamide
CID 131204641
2-fluoro-3-methyl-N-prop-2-enyl-2-(trifluoromethyl)pentanamide
CID 132064133
2-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide
CID 163211464
N-[(2E)-2,5-dimethylhexa-2,4-dienyl]-3,3-difluorocyclobutane-1-carboxamide
CID 166927491
2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 170205255
2-(2,2-difluorocyclopropyl)-N-propylacetamide
CID 170235581
2-(3,3-difluorocyclobutyl)-N-(2-methylprop-2-enyl)acetamide
CID 175397347
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
CID 178011026

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide (CID 127001204) is 2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide is C=C(C)CNC(=O)C1C(C)C1(F)F.
What is the InChIKey of 2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide?
The InChIKey is WFSAAHBCGJSNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-5(2)4-12-8(13)7-6(3)9(7,10)11/h6-7H,1,4H2,2-3H3,(H,12,13).
What are the key properties of 2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide?
2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide has a molecular weight of 189.20 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 127001204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).