1-ethenyl-3-(trifluoromethylsulfanyl)benzene

C9H7F3S — CID 140734261

IUPAC1-ethenyl-3-(trifluoromethylsulfanyl)benzene
SMILESC=Cc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C9H7F3S/c1-2-7-4-3-5-8(6-7)13-9(10,11)12/h2-6H,1H2
InChIKeyXWRKUYSTNXIZJJ-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.94
Rot. Bonds2

About 1-ethenyl-3-(trifluoromethylsulfanyl)benzene

1-ethenyl-3-(trifluoromethylsulfanyl)benzene (PubChem CID 140734261) has the molecular formula C9H7F3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-ethenyl-3-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-ethenyl-3-(trifluoromethylsulfanyl)benzene
PubChem CID140734261
Molecular FormulaC9H7F3S
Molecular Weight204.22 g/mol
Exact Mass204.02
IUPAC Name1-ethenyl-3-(trifluoromethylsulfanyl)benzene
SMILESC=Cc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C9H7F3S/c1-2-7-4-3-5-8(6-7)13-9(10,11)12/h2-6H,1H2
InChIKeyXWRKUYSTNXIZJJ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-ethenyl-3-(trifluoromethylsulfanyl)benzene (CID 140734261) is 1-ethenyl-3-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-ethenyl-3-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-ethenyl-3-(trifluoromethylsulfanyl)benzene is C=Cc1cccc(SC(F)(F)F)c1.
What is the InChIKey of 1-ethenyl-3-(trifluoromethylsulfanyl)benzene?
The InChIKey is XWRKUYSTNXIZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3S/c1-2-7-4-3-5-8(6-7)13-9(10,11)12/h2-6H,1H2.
What are the key properties of 1-ethenyl-3-(trifluoromethylsulfanyl)benzene?
1-ethenyl-3-(trifluoromethylsulfanyl)benzene has a molecular weight of 204.22 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 140734261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).