1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone

C10H6F6OS — CID 122399699

IUPAC1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H6F6OS/c11-9(12,13)7-3-1-6(2-4-7)8(17)5-18-10(14,15)16/h1-4H,5H2
InChIKeyDTDFKYNIWIKGHW-UHFFFAOYSA-N
MW288.21 g/mol
LogP4.14
Rot. Bonds3

About 1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone

1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 122399699) has the molecular formula C10H6F6OS and a molecular weight of 288.21 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone
PubChem CID122399699
Molecular FormulaC10H6F6OS
Molecular Weight288.21 g/mol
Exact Mass288.00
IUPAC Name1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H6F6OS/c11-9(12,13)7-3-1-6(2-4-7)8(17)5-18-10(14,15)16/h1-4H,5H2
InChIKeyDTDFKYNIWIKGHW-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-3-[4-(trifluoromethyl)phenyl]propanal
CID 43114751
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone
CID 66095873
4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
CID 142703913
2-oxo-2-[4-(trifluoromethyl)phenyl]ethanesulfonic acid
CID 115049943
1-[4-(trifluoromethyl)phenyl]but-3-en-1-one
CID 10488800
bis(2-hydroxyethyl)-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanium
CID 139752596
2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 24723916
CID 175394574
CID 175394574
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 66784650
2-(4-ethylpyridin-1-ium-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 118027484
2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 15085990

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone (CID 122399699) is 1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone is O=C(CSC(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is DTDFKYNIWIKGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6OS/c11-9(12,13)7-3-1-6(2-4-7)8(17)5-18-10(14,15)16/h1-4H,5H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone?
1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 288.21 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 122399699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).