(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone

C13H14F3NO2 — CID 79078104

IUPAC(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCN1CCOC(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H14F3NO2/c1-17-6-7-19-11(8-17)12(18)9-4-2-3-5-10(9)13(14,15)16/h2-5,11H,6-8H2,1H3
InChIKeyBWWRQAMVARJDMS-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.22
Rot. Bonds2

About (4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone

(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 79078104) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID79078104
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCN1CCOC(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H14F3NO2/c1-17-6-7-19-11(8-17)12(18)9-4-2-3-5-10(9)13(14,15)16/h2-5,11H,6-8H2,1H3
InChIKeyBWWRQAMVARJDMS-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide
CID 97347258
(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 114601968
1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone
CID 65350786
(2,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 79077705
[2-(4-methylphenyl)morpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121134814
(4-methylmorpholin-2-yl)-(2-methylthiophen-3-yl)methanone
CID 102830916
(4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 79077110
(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 107128362
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
[(6R)-8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043133
(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 134073617
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 79078104) is (4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone is CN1CCOC(C(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of (4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is BWWRQAMVARJDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-17-6-7-19-11(8-17)12(18)9-4-2-3-5-10(9)13(14,15)16/h2-5,11H,6-8H2,1H3.
What are the key properties of (4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 273.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 79078104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).