2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide

C14H23F2NO — CID 131929166

IUPAC2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
SMILESCC(C)CC1(CNC(=O)CC2CC2(F)F)CCC1
InChIInChI=1S/C14H23F2NO/c1-10(2)7-13(4-3-5-13)9-17-12(18)6-11-8-14(11,15)16/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyZQHOBXREDWLFNB-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.36
Rot. Bonds6

About 2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide

2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide (PubChem CID 131929166) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
PubChem CID131929166
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
SMILESCC(C)CC1(CNC(=O)CC2CC2(F)F)CCC1
InChIInChI=1S/C14H23F2NO/c1-10(2)7-13(4-3-5-13)9-17-12(18)6-11-8-14(11,15)16/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyZQHOBXREDWLFNB-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoroethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11424015
2,2,2-trifluoro-N-(4,6,6-trimethylheptyl)acetamide
CID 162406542
(1R)-N-(cyclobutylmethyl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide
CID 164636299
(2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide
CID 164636755
N-Ethyl-2-isobutyl-2,4-dimethylvaleramide
CID 3016606
N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]acetamide
CID 59845703
4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 89141406
N-(2,2-dimethylpropyl)-3,3-difluorocyclobutane-1-carboxamide
CID 126790249
N-(2-butyl-2-methyloctyl)-3,3,3-trifluoropropanamide
CID 137535871
2-ethyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]pentanamide
CID 141630599
2-ethyl-N-(4,4,4-trifluorobutyl)pentanamide
CID 145689958
N-(2,2-difluorocyclopropyl)-2-ethylpentanamide
CID 145690326

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide (CID 131929166) is 2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide is CC(C)CC1(CNC(=O)CC2CC2(F)F)CCC1.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide?
The InChIKey is ZQHOBXREDWLFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-10(2)7-13(4-3-5-13)9-17-12(18)6-11-8-14(11,15)16/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide?
2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide has a molecular weight of 259.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 131929166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).