(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone

C14H16F3NO2 — CID 51077388

IUPAC(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCC1CN(C(=O)c2cccc(C(F)(F)F)c2)C(C)CO1
InChIInChI=1S/C14H16F3NO2/c1-9-8-20-10(2)7-18(9)13(19)11-4-3-5-12(6-11)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVYYWGRSCZCAVPY-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.95
Rot. Bonds1

About (2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone

(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 51077388) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID51077388
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCC1CN(C(=O)c2cccc(C(F)(F)F)c2)C(C)CO1
InChIInChI=1S/C14H16F3NO2/c1-9-8-20-10(2)7-18(9)13(19)11-4-3-5-12(6-11)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVYYWGRSCZCAVPY-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 51077390
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447
(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60817027
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
[(2S,5S)-2,5-dimethylmorpholin-4-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 94051516
3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420928
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 94051513
4-(2,5-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
CID 103612536
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(3-ethylsulfonylazetidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 121164314

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 51077388) is (2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone is CC1CN(C(=O)c2cccc(C(F)(F)F)c2)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is VYYWGRSCZCAVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9-8-20-10(2)7-18(9)13(19)11-4-3-5-12(6-11)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 287.28 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 51077388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).