2-(trifluoromethyl)piperidin-4-one

C6H8F3NO — CID 66524899

IUPAC2-(trifluoromethyl)piperidin-4-one
SMILESO=C1CCNC(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5-3-4(11)1-2-10-5/h5,10H,1-3H2
InChIKeyYHXQPYFKJWAMSA-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.87
Rot. Bonds

About 2-(trifluoromethyl)piperidin-4-one

2-(trifluoromethyl)piperidin-4-one (PubChem CID 66524899) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)piperidin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)piperidin-4-one
PubChem CID66524899
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2-(trifluoromethyl)piperidin-4-one
SMILESO=C1CCNC(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5-3-4(11)1-2-10-5/h5,10H,1-3H2
InChIKeyYHXQPYFKJWAMSA-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)piperidin-4-one?
The IUPAC name of 2-(trifluoromethyl)piperidin-4-one (CID 66524899) is 2-(trifluoromethyl)piperidin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)piperidin-4-one?
The canonical SMILES for 2-(trifluoromethyl)piperidin-4-one is O=C1CCNC(C(F)(F)F)C1.
What is the InChIKey of 2-(trifluoromethyl)piperidin-4-one?
The InChIKey is YHXQPYFKJWAMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5-3-4(11)1-2-10-5/h5,10H,1-3H2.
What are the key properties of 2-(trifluoromethyl)piperidin-4-one?
2-(trifluoromethyl)piperidin-4-one has a molecular weight of 167.13 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)piperidin-4-one is sourced from PubChem (CID 66524899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).