3-(trifluoromethyl)piperidin-2-one

C6H8F3NO — CID 42944935

IUPAC3-(trifluoromethyl)piperidin-2-one
SMILESO=C1NCCCC1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-2-1-3-10-5(4)11/h4H,1-3H2,(H,10,11)
InChIKeyWDEBTTOBFKEZBC-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.07
Rot. Bonds

About 3-(trifluoromethyl)piperidin-2-one

3-(trifluoromethyl)piperidin-2-one (PubChem CID 42944935) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name3-(trifluoromethyl)piperidin-2-one
PubChem CID42944935
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name3-(trifluoromethyl)piperidin-2-one
SMILESO=C1NCCCC1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-2-1-3-10-5(4)11/h4H,1-3H2,(H,10,11)
InChIKeyWDEBTTOBFKEZBC-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)piperidin-2-one?
The IUPAC name of 3-(trifluoromethyl)piperidin-2-one (CID 42944935) is 3-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for 3-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for 3-(trifluoromethyl)piperidin-2-one is O=C1NCCCC1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)piperidin-2-one?
The InChIKey is WDEBTTOBFKEZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)4-2-1-3-10-5(4)11/h4H,1-3H2,(H,10,11).
What are the key properties of 3-(trifluoromethyl)piperidin-2-one?
3-(trifluoromethyl)piperidin-2-one has a molecular weight of 167.13 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 42944935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).