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

C13H20F3NO — CID 79552727

IUPAC2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CC(F)(F)F
InChIInChI=1S/C13H20F3NO/c14-13(15,16)9-17-8-4-3-6-11(17)10-5-1-2-7-12(10)18/h10-11H,1-9H2
InChIKeyXWWKOFYJYOGWCO-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.16
Rot. Bonds2

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

2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 79552727) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID79552727
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CC(F)(F)F
InChIInChI=1S/C13H20F3NO/c14-13(15,16)9-17-8-4-3-6-11(17)10-5-1-2-7-12(10)18/h10-11H,1-9H2
InChIKeyXWWKOFYJYOGWCO-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one (CID 79552727) is 2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1CC(F)(F)F.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is XWWKOFYJYOGWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)9-17-8-4-3-6-11(17)10-5-1-2-7-12(10)18/h10-11H,1-9H2.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 263.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79552727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).