2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one

C12H12F3NO2 — CID 10825154

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
SMILESO=C1NCCOC1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-3-1-2-8(6-9)7-10-11(17)16-4-5-18-10/h1-3,6,10H,4-5,7H2,(H,16,17)
InChIKeyGHWIUWGXKLEDFU-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.76
Rot. Bonds2

About 2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one

2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one (PubChem CID 10825154) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
PubChem CID10825154
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
SMILESO=C1NCCOC1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-3-1-2-8(6-9)7-10-11(17)16-4-5-18-10/h1-3,6,10H,4-5,7H2,(H,16,17)
InChIKeyGHWIUWGXKLEDFU-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Flumetramide
CID 23512
[2-(Cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2344633
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2998110
(2R,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10635963
(2S,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10540176
N-(cyclopropylmethyl)-4-(2-phenylethyl)-2-(trifluoromethyl)oxepane-2-carboxamide
CID 16725216
[2-(Cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2343958
4-Methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
CID 10634995
(2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10635964
4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10730942
(4Z)-N-(cyclopropylmethyl)-4-(2-phenylethylidene)-2-(trifluoromethyl)oxepane-2-carboxamide
CID 16725225
(4Z)-N-(2-morpholin-4-ylethyl)-4-(2-phenylethylidene)-2-(trifluoromethyl)oxepane-2-carboxamide
CID 16725227

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one (CID 10825154) is 2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one is O=C1NCCOC1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The InChIKey is GHWIUWGXKLEDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)9-3-1-2-8(6-9)7-10-11(17)16-4-5-18-10/h1-3,6,10H,4-5,7H2,(H,16,17).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one has a molecular weight of 259.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one is sourced from PubChem (CID 10825154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).