1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone

C14H21F2NO2 — CID 58356066

IUPAC1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone
SMILESCC(=O)C1CCC(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H21F2NO2/c1-10(18)11-2-4-12(5-3-11)13(19)17-8-6-14(15,16)7-9-17/h11-12H,2-9H2,1H3
InChIKeyWYAWSWQEHAWQQG-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.64
Rot. Bonds2

About 1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone

1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone (PubChem CID 58356066) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone
PubChem CID58356066
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone
SMILESCC(=O)C1CCC(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H21F2NO2/c1-10(18)11-2-4-12(5-3-11)13(19)17-8-6-14(15,16)7-9-17/h11-12H,2-9H2,1H3
InChIKeyWYAWSWQEHAWQQG-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone?
The IUPAC name of 1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone (CID 58356066) is 1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone?
The canonical SMILES for 1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone is CC(=O)C1CCC(C(=O)N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone?
The InChIKey is WYAWSWQEHAWQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(18)11-2-4-12(5-3-11)13(19)17-8-6-14(15,16)7-9-17/h11-12H,2-9H2,1H3.
What are the key properties of 1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone?
1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone has a molecular weight of 273.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-difluoropiperidine-1-carbonyl)cyclohexyl]ethanone is sourced from PubChem (CID 58356066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).