1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene

C9H8F4S — CID 118824763

IUPAC1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene
SMILESCc1c(F)ccc(SC(F)(F)F)c1C
InChIInChI=1S/C9H8F4S/c1-5-6(2)8(4-3-7(5)10)14-9(11,12)13/h3-4H,1-2H3
InChIKeyWWDZWOGCCWIFDX-UHFFFAOYSA-N
MW224.22 g/mol
LogP4.05
Rot. Bonds1

About 1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene

1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene (PubChem CID 118824763) has the molecular formula C9H8F4S and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene
PubChem CID118824763
Molecular FormulaC9H8F4S
Molecular Weight224.22 g/mol
Exact Mass224.03
IUPAC Name1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene
SMILESCc1c(F)ccc(SC(F)(F)F)c1C
InChIInChI=1S/C9H8F4S/c1-5-6(2)8(4-3-7(5)10)14-9(11,12)13/h3-4H,1-2H3
InChIKeyWWDZWOGCCWIFDX-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene (CID 118824763) is 1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene is Cc1c(F)ccc(SC(F)(F)F)c1C.
What is the InChIKey of 1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is WWDZWOGCCWIFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4S/c1-5-6(2)8(4-3-7(5)10)14-9(11,12)13/h3-4H,1-2H3.
What are the key properties of 1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene?
1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 224.22 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 118824763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).