2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one

C15H24F3NO — CID 115513983

IUPAC2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C15H24F3NO/c16-15(17,18)9-5-11-19-10-4-3-7-13(19)12-6-1-2-8-14(12)20/h12-13H,1-11H2
InChIKeyJDSDEMVXZBKKQX-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.94
Rot. Bonds4

About 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 115513983) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID115513983
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C15H24F3NO/c16-15(17,18)9-5-11-19-10-4-3-7-13(19)12-6-1-2-8-14(12)20/h12-13H,1-11H2
InChIKeyJDSDEMVXZBKKQX-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one (CID 115513983) is 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1CCCC(F)(F)F.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is JDSDEMVXZBKKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO/c16-15(17,18)9-5-11-19-10-4-3-7-13(19)12-6-1-2-8-14(12)20/h12-13H,1-11H2.
What are the key properties of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 291.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 115513983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).