2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone

C11H10F4OS — CID 107288150

IUPAC2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
SMILESCCSCC(=O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H10F4OS/c1-2-17-6-10(16)7-3-4-8(9(12)5-7)11(13,14)15/h3-5H,2,6H2,1H3
InChIKeyPKWOQHMWNVAPJC-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.78
Rot. Bonds4

About 2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone

2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 107288150) has the molecular formula C11H10F4OS and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
PubChem CID107288150
Molecular FormulaC11H10F4OS
Molecular Weight266.26 g/mol
Exact Mass266.04
IUPAC Name2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
SMILESCCSCC(=O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H10F4OS/c1-2-17-6-10(16)7-3-4-8(9(12)5-7)11(13,14)15/h3-5H,2,6H2,1H3
InChIKeyPKWOQHMWNVAPJC-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-one
CID 114211394
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
ethyl 3-fluoro-4-(trifluoromethyl)benzoate
CID 46311389
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)ethanone
CID 107291064
4-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-one
CID 107291093
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 107291308
2-cycloheptyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291304
2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 107290933
(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291305
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone (CID 107288150) is 2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone is CCSCC(=O)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is PKWOQHMWNVAPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4OS/c1-2-17-6-10(16)7-3-4-8(9(12)5-7)11(13,14)15/h3-5H,2,6H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone?
2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 266.26 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 107288150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).