1-(4,4,4-trifluorobutyl)piperidin-4-one

C9H14F3NO — CID 115513973

IUPAC1-(4,4,4-trifluorobutyl)piperidin-4-one
SMILESO=C1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)4-1-5-13-6-2-8(14)3-7-13/h1-7H2
InChIKeyXUVFBVISVBLBKV-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.99
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)piperidin-4-one

1-(4,4,4-trifluorobutyl)piperidin-4-one (PubChem CID 115513973) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)piperidin-4-one
PubChem CID115513973
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(4,4,4-trifluorobutyl)piperidin-4-one
SMILESO=C1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)4-1-5-13-6-2-8(14)3-7-13/h1-7H2
InChIKeyXUVFBVISVBLBKV-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.99
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-trifluorobutyl)piperidin-4-one?
The IUPAC name of 1-(4,4,4-trifluorobutyl)piperidin-4-one (CID 115513973) is 1-(4,4,4-trifluorobutyl)piperidin-4-one.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)piperidin-4-one?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)piperidin-4-one is O=C1CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)piperidin-4-one?
The InChIKey is XUVFBVISVBLBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)4-1-5-13-6-2-8(14)3-7-13/h1-7H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)piperidin-4-one?
1-(4,4,4-trifluorobutyl)piperidin-4-one has a molecular weight of 209.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)piperidin-4-one is sourced from PubChem (CID 115513973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).