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

C8H12F3NO — CID 114451661

IUPAC3-(3,3,3-trifluoropropyl)piperidin-4-one
SMILESO=C1CCNCC1CCC(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)3-1-6-5-12-4-2-7(6)13/h6,12H,1-5H2
InChIKeyBZKJFSPENUOSKD-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.51
Rot. Bonds2

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

3-(3,3,3-trifluoropropyl)piperidin-4-one (PubChem CID 114451661) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)piperidin-4-one.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)piperidin-4-one
PubChem CID114451661
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name3-(3,3,3-trifluoropropyl)piperidin-4-one
SMILESO=C1CCNCC1CCC(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)3-1-6-5-12-4-2-7(6)13/h6,12H,1-5H2
InChIKeyBZKJFSPENUOSKD-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)piperidin-4-one?
The IUPAC name of 3-(3,3,3-trifluoropropyl)piperidin-4-one (CID 114451661) is 3-(3,3,3-trifluoropropyl)piperidin-4-one.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)piperidin-4-one?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)piperidin-4-one is O=C1CCNCC1CCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)piperidin-4-one?
The InChIKey is BZKJFSPENUOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)3-1-6-5-12-4-2-7(6)13/h6,12H,1-5H2.
What are the key properties of 3-(3,3,3-trifluoropropyl)piperidin-4-one?
3-(3,3,3-trifluoropropyl)piperidin-4-one has a molecular weight of 195.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)piperidin-4-one is sourced from PubChem (CID 114451661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).