2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one

C15H24F3NO2 — CID 79541009

IUPAC2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)11-21-10-9-19-8-4-3-6-13(19)12-5-1-2-7-14(12)20/h12-13H,1-11H2
InChIKeyKRNABRMUUPJTPL-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.18
Rot. Bonds5

About 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one

2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one (PubChem CID 79541009) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
PubChem CID79541009
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)11-21-10-9-19-8-4-3-6-13(19)12-5-1-2-7-14(12)20/h12-13H,1-11H2
InChIKeyKRNABRMUUPJTPL-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cyclohexanone, 2-(morpholinomethyl)-, hydrochloride
CID 216514
2-(Morpholinomethyl)cyclohexanone
CID 216515
2-(Morpholinomethyl)cyclododecanone
CID 376400
2,3-Dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one
CID 79407824
1-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one
CID 79537548
2-[1-[3-(2,2,2-Trifluoroethoxy)propyl]piperidin-2-yl]cyclopentan-1-one
CID 79538436
2-[1-[2-(Trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one
CID 79545082
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one
CID 79545231
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546690
2-[1-[2-(Trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546693
2-[1-(3,3,3-Trifluoropropyl)piperidin-2-yl]cyclohexan-1-one
CID 79552648
2-[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]cyclohexan-1-one
CID 79552727

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one (CID 79541009) is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1CCOCC(F)(F)F.
What is the InChIKey of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one?
The InChIKey is KRNABRMUUPJTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c16-15(17,18)11-21-10-9-19-8-4-3-6-13(19)12-5-1-2-7-14(12)20/h12-13H,1-11H2.
What are the key properties of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one?
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one has a molecular weight of 307.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79541009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).