1-(3,3,3-trifluoropropyl)piperidin-4-one

C8H12F3NO — CID 60691077

IUPAC1-(3,3,3-trifluoropropyl)piperidin-4-one
SMILESO=C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)3-6-12-4-1-7(13)2-5-12/h1-6H2
InChIKeyMKXWSKFPCLYBLJ-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.60
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)piperidin-4-one

1-(3,3,3-trifluoropropyl)piperidin-4-one (PubChem CID 60691077) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidin-4-one
PubChem CID60691077
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(3,3,3-trifluoropropyl)piperidin-4-one
SMILESO=C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)3-6-12-4-1-7(13)2-5-12/h1-6H2
InChIKeyMKXWSKFPCLYBLJ-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperidin-4-one?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidin-4-one (CID 60691077) is 1-(3,3,3-trifluoropropyl)piperidin-4-one.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidin-4-one?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidin-4-one is O=C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidin-4-one?
The InChIKey is MKXWSKFPCLYBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)3-6-12-4-1-7(13)2-5-12/h1-6H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidin-4-one?
1-(3,3,3-trifluoropropyl)piperidin-4-one has a molecular weight of 195.18 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidin-4-one is sourced from PubChem (CID 60691077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).