2,2-difluoro-N-(4-oxocyclohexyl)propanamide

C9H13F2NO2 — CID 131072178

IUPAC2,2-difluoro-N-(4-oxocyclohexyl)propanamide
SMILESCC(F)(F)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C9H13F2NO2/c1-9(10,11)8(14)12-6-2-4-7(13)5-3-6/h6H,2-5H2,1H3,(H,12,14)
InChIKeyMPANQNDOWSKVBT-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.27
Rot. Bonds2

About 2,2-difluoro-N-(4-oxocyclohexyl)propanamide

2,2-difluoro-N-(4-oxocyclohexyl)propanamide (PubChem CID 131072178) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(4-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4-oxocyclohexyl)propanamide
PubChem CID131072178
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name2,2-difluoro-N-(4-oxocyclohexyl)propanamide
SMILESCC(F)(F)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C9H13F2NO2/c1-9(10,11)8(14)12-6-2-4-7(13)5-3-6/h6H,2-5H2,1H3,(H,12,14)
InChIKeyMPANQNDOWSKVBT-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-methyl-N-(4-oxocyclohexyl)propanamide
CID 103020635
1-tert-butyl-3-(4-oxocyclohexyl)urea
CID 43652951
2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 131131747
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
1-cyclobutyl-3-(4-oxocyclohexyl)urea
CID 116658369
2-cyclopropyl-N-(4-oxocyclohexyl)propanamide
CID 83153733
ethyl N-(4-oxocyclohexyl)carbamate
CID 12546192
2-fluoro-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 130165281
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
N-(4-aminocyclohexyl)-2-fluoro-2-methylpropanamide
CID 126982038
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4-oxocyclohexyl)propanamide?
The IUPAC name of 2,2-difluoro-N-(4-oxocyclohexyl)propanamide (CID 131072178) is 2,2-difluoro-N-(4-oxocyclohexyl)propanamide.
What is the SMILES notation for 2,2-difluoro-N-(4-oxocyclohexyl)propanamide?
The canonical SMILES for 2,2-difluoro-N-(4-oxocyclohexyl)propanamide is CC(F)(F)C(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2,2-difluoro-N-(4-oxocyclohexyl)propanamide?
The InChIKey is MPANQNDOWSKVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-9(10,11)8(14)12-6-2-4-7(13)5-3-6/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of 2,2-difluoro-N-(4-oxocyclohexyl)propanamide?
2,2-difluoro-N-(4-oxocyclohexyl)propanamide has a molecular weight of 205.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4-oxocyclohexyl)propanamide is sourced from PubChem (CID 131072178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).