N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide

C7H11F2NO — CID 126994567

IUPACN-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(F)F)CC1
InChIInChI=1S/C7H11F2NO/c1-7(2-3-7)6(11)10-4-5(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyOSVUWAMUXUWXJQ-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.17
Rot. Bonds3

About N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide

N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 126994567) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide
PubChem CID126994567
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC NameN-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(F)F)CC1
InChIInChI=1S/C7H11F2NO/c1-7(2-3-7)6(11)10-4-5(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyOSVUWAMUXUWXJQ-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide
CID 165476452
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
tert-butyl-[1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid
CID 90218953
(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
CID 115406466
N-(methoxymethyl)-1-methylcyclopropane-1-carboxamide
CID 67345335
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide
CID 110027941
1-carbamothioyl-N-(2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 115407173
N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide
CID 127001216
1-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 126990723

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide (CID 126994567) is N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCC(F)F)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is OSVUWAMUXUWXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-7(2-3-7)6(11)10-4-5(8)9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide?
N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 163.17 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 126994567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).