1-[4-(trifluoromethyl)phenyl]piperidin-2-one

C12H12F3NO — CID 2817620

IUPAC1-[4-(trifluoromethyl)phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)9-4-6-10(7-5-9)16-8-2-1-3-11(16)17/h4-7H,1-3,8H2
InChIKeyXAGZJIQIVXSURR-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.22
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]piperidin-2-one

1-[4-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 2817620) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID2817620
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-[4-(trifluoromethyl)phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)9-4-6-10(7-5-9)16-8-2-1-3-11(16)17/h4-7H,1-3,8H2
InChIKeyXAGZJIQIVXSURR-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]piperidin-2-one (CID 2817620) is 1-[4-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]piperidin-2-one is O=C1CCCCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is XAGZJIQIVXSURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)9-4-6-10(7-5-9)16-8-2-1-3-11(16)17/h4-7H,1-3,8H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]piperidin-2-one?
1-[4-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 243.23 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 2817620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).