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

C12H12F3NO — CID 75982795

IUPAC2-[2-(trifluoromethyl)phenyl]piperidin-4-one
SMILESO=C1CCNC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-4-2-1-3-9(10)11-7-8(17)5-6-16-11/h1-4,11,16H,5-7H2
InChIKeyFQQKQNXUPWNXQD-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.70
Rot. Bonds1

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

2-[2-(trifluoromethyl)phenyl]piperidin-4-one (PubChem CID 75982795) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]piperidin-4-one.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]piperidin-4-one
PubChem CID75982795
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-[2-(trifluoromethyl)phenyl]piperidin-4-one
SMILESO=C1CCNC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-4-2-1-3-9(10)11-7-8(17)5-6-16-11/h1-4,11,16H,5-7H2
InChIKeyFQQKQNXUPWNXQD-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one
CID 82383175
(2R)-2-phenylpiperidin-4-one
CID 86319056
3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 105486245
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
(3S,6R)-6-methyl-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
CID 125456068
2,2-diethyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81415107
1-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 65046310
1-oxo-5-[2-(trifluoromethyl)phenyl]-1,4-thiazinane-3-carboxylic acid
CID 65171366
4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5184611
2-(6-fluoro-3-pyridinyl)piperidin-4-one
CID 82401375
(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
CID 94603909
7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 3403693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]piperidin-4-one?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]piperidin-4-one (CID 75982795) is 2-[2-(trifluoromethyl)phenyl]piperidin-4-one.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]piperidin-4-one?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]piperidin-4-one is O=C1CCNC(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]piperidin-4-one?
The InChIKey is FQQKQNXUPWNXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)10-4-2-1-3-9(10)11-7-8(17)5-6-16-11/h1-4,11,16H,5-7H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]piperidin-4-one?
2-[2-(trifluoromethyl)phenyl]piperidin-4-one has a molecular weight of 243.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]piperidin-4-one is sourced from PubChem (CID 75982795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).