[2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone

C14H22F3NO — CID 123326774

IUPAC[2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone
SMILESCC(F)(F)C1CC(F)CCC1C(=O)N1CCCCC1
InChIInChI=1S/C14H22F3NO/c1-14(16,17)12-9-10(15)5-6-11(12)13(19)18-7-3-2-4-8-18/h10-12H,2-9H2,1H3
InChIKeyXLERQOWDVQGVNR-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.41
Rot. Bonds2

About [2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone

[2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone (PubChem CID 123326774) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is [2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone
PubChem CID123326774
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name[2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone
SMILESCC(F)(F)C1CC(F)CCC1C(=O)N1CCCCC1
InChIInChI=1S/C14H22F3NO/c1-14(16,17)12-9-10(15)5-6-11(12)13(19)18-7-3-2-4-8-18/h10-12H,2-9H2,1H3
InChIKeyXLERQOWDVQGVNR-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1-(cyclohexylcarbonyl)-3-methyl-
CID 2915080
Piperidine, 1-(cyclohexylcarbonyl)-
CID 12760854
Piperidine, 3-methyl-1-((2-methylcyclohexyl)carbonyl)-
CID 3049059
Piperidine, 2-ethyl-1-((2-methylcyclohexyl)carbonyl)-
CID 3049452
3-Cyclohexyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 4432326
2-Cyclohexyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 36054272
3-Cyclohexyl-1-(1-piperidinyl)-1-propanone
CID 4529900
1-(3-Cyclohexylpropanoyl)-2-ethylpiperidine
CID 2939379
3-Cyclohexyl-1-[3-(difluoromethyl)azetidin-1-yl]propan-1-one
CID 122272124
(1S)-N-but-2-ynyl-3,3-difluoro-N-methylcyclohexane-1-carboxamide
CID 125144320
3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
CID 126794154
[(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone
CID 129349028

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone (CID 123326774) is [2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone is CC(F)(F)C1CC(F)CCC1C(=O)N1CCCCC1.
What is the InChIKey of [2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone?
The InChIKey is XLERQOWDVQGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c1-14(16,17)12-9-10(15)5-6-11(12)13(19)18-7-3-2-4-8-18/h10-12H,2-9H2,1H3.
What are the key properties of [2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone?
[2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone has a molecular weight of 277.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 123326774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).