3-(trifluoromethyl)piperidin-4-one

C6H8F3NO — CID 83670237

IUPAC3-(trifluoromethyl)piperidin-4-one
SMILESO=C1CCNCC1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-3-10-2-1-5(4)11/h4,10H,1-3H2
InChIKeyDHCNDZXEUNHNLB-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.73
Rot. Bonds

About 3-(trifluoromethyl)piperidin-4-one

3-(trifluoromethyl)piperidin-4-one (PubChem CID 83670237) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)piperidin-4-one.

Molecular Properties

Compound Name3-(trifluoromethyl)piperidin-4-one
PubChem CID83670237
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name3-(trifluoromethyl)piperidin-4-one
SMILESO=C1CCNCC1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-3-10-2-1-5(4)11/h4,10H,1-3H2
InChIKeyDHCNDZXEUNHNLB-UHFFFAOYSA-N
XLogP0.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)piperidin-4-one?
The IUPAC name of 3-(trifluoromethyl)piperidin-4-one (CID 83670237) is 3-(trifluoromethyl)piperidin-4-one.
What is the SMILES notation for 3-(trifluoromethyl)piperidin-4-one?
The canonical SMILES for 3-(trifluoromethyl)piperidin-4-one is O=C1CCNCC1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)piperidin-4-one?
The InChIKey is DHCNDZXEUNHNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)4-3-10-2-1-5(4)11/h4,10H,1-3H2.
What are the key properties of 3-(trifluoromethyl)piperidin-4-one?
3-(trifluoromethyl)piperidin-4-one has a molecular weight of 167.13 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)piperidin-4-one is sourced from PubChem (CID 83670237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).