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

C7H10F3NO2S — CID 155354331

IUPAC2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone
SMILESCSC1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C7H10F3NO2S/c1-14-5-4-11(2-3-13-5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyQKJKQLKWCUSWKK-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.10
Rot. Bonds1

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

2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone (PubChem CID 155354331) has the molecular formula C7H10F3NO2S and a molecular weight of 229.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone
PubChem CID155354331
Molecular FormulaC7H10F3NO2S
Molecular Weight229.22 g/mol
Exact Mass229.04
IUPAC Name2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone
SMILESCSC1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C7H10F3NO2S/c1-14-5-4-11(2-3-13-5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyQKJKQLKWCUSWKK-UHFFFAOYSA-N
XLogP1.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Morpholino-2-((perfluoropropyl)thio)ethanone
CID 1580702
1-Morpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone
CID 53519784
1-Morpholin-4-yl-2-(pentafluoro-lambda6-sulfanyl)ethanone
CID 178346764
2-(Difluoromethylsulfanyl)-1-morpholin-4-ylethanone
CID 57264886
1-(2,2-Difluoromorpholin-4-yl)ethanone
CID 68963227
1-(3,3-Difluoromorpholin-4-yl)ethanone
CID 146492903
1-Morpholin-4-yl-2-(trifluoromethylsulfanyl)propan-1-one
CID 45815966
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 51099485
1-Thiomorpholin-4-yl-2-(2,2,2-trifluoroethoxy)ethanone
CID 53519814
(2S)-1-morpholin-4-yl-2-(trifluoromethylsulfanyl)propan-1-one
CID 93613931
(2R)-1-morpholin-4-yl-2-(trifluoromethylsulfanyl)propan-1-one
CID 93613932
2-(Difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone
CID 126769533

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone (CID 155354331) is 2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone is CSC1CN(C(=O)C(F)(F)F)CCO1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone?
The InChIKey is QKJKQLKWCUSWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2S/c1-14-5-4-11(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-methylsulfanylmorpholin-4-yl)ethanone?
2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone has a molecular weight of 229.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methylsulfanylmorpholin-4-yl)ethanone is sourced from PubChem (CID 155354331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).