3-[3-(trifluoromethyl)phenoxy]piperidin-2-one

C12H12F3NO2 — CID 138484952

IUPAC3-[3-(trifluoromethyl)phenoxy]piperidin-2-one
SMILESO=C1NCCCC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-4-9(7-8)18-10-5-2-6-16-11(10)17/h1,3-4,7,10H,2,5-6H2,(H,16,17)
InChIKeyJTHISDLZRXFVPX-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.36
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenoxy]piperidin-2-one

3-[3-(trifluoromethyl)phenoxy]piperidin-2-one (PubChem CID 138484952) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]piperidin-2-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]piperidin-2-one
PubChem CID138484952
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name3-[3-(trifluoromethyl)phenoxy]piperidin-2-one
SMILESO=C1NCCCC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-4-9(7-8)18-10-5-2-6-16-11(10)17/h1,3-4,7,10H,2,5-6H2,(H,16,17)
InChIKeyJTHISDLZRXFVPX-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-oxoazepan-3-yl)oxybenzoic acid
CID 43176358
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
3-[3-[(1R)-1-hydroxyethyl]phenoxy]azepan-2-one
CID 55189361
3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one
CID 43279877
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
(3S)-4-methyl-3-[2-oxo-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]piperazin-2-one
CID 26325608
3-(4-acetyl-3-fluorophenoxy)azepan-2-one
CID 107719380
3-[[3-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 43199156
3-[(3-oxo-1-benzofuran-6-yl)oxy]azepan-2-one
CID 63094843
2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66367022
2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66367223
4-(2-oxoazepan-3-yl)oxy-3-(trifluoromethyl)benzaldehyde
CID 63320607

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]piperidin-2-one?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]piperidin-2-one (CID 138484952) is 3-[3-(trifluoromethyl)phenoxy]piperidin-2-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]piperidin-2-one?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]piperidin-2-one is O=C1NCCCC1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]piperidin-2-one?
The InChIKey is JTHISDLZRXFVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-4-9(7-8)18-10-5-2-6-16-11(10)17/h1,3-4,7,10H,2,5-6H2,(H,16,17).
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]piperidin-2-one?
3-[3-(trifluoromethyl)phenoxy]piperidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]piperidin-2-one is sourced from PubChem (CID 138484952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).