2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone

C7H10F3NO2 — CID 62490417

IUPAC2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C7H10F3NO2/c1-5-4-11(2-3-13-5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyHCMDLDAZTVRXKJ-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.80
Rot. Bonds

About 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone

2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 62490417) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID62490417
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C7H10F3NO2/c1-5-4-11(2-3-13-5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyHCMDLDAZTVRXKJ-UHFFFAOYSA-N
XLogP0.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Trifluoroacetyl)morpholine
CID 544636
4-(2,3,3,3-Tetrafluoro-2-methoxypropanoyl)morpholine
CID 2828738
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
CID 126771662
1-Morpholino-3,3,3-trifluoro-1-propanone
CID 15366087
1-(2,6-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 45893146
1-(2,5-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 53527409
1-(2,6-Dimethylmorpholin-4-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 72017177
Pentafluoropropionic acid, morpholide
CID 532139
2,2-Difluoro-1-morpholinoethanone
CID 13896439
1-Propanone, 2,2-difluoro-1-(4-morpholinyl)-
CID 58122781
2,2,2-trifluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 59833327

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone (CID 62490417) is 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)C(F)(F)F)CCO1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is HCMDLDAZTVRXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-5-4-11(2-3-13-5)6(12)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone?
2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 197.16 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 62490417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).