2-(trifluoromethylsulfanyl)propylbenzene

C10H11F3S — CID 102526857

IUPAC2-(trifluoromethylsulfanyl)propylbenzene
SMILESCC(Cc1ccccc1)SC(F)(F)F
InChIInChI=1S/C10H11F3S/c1-8(14-10(11,12)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyCNIYXXQILMRAMA-UHFFFAOYSA-N
MW220.26 g/mol
LogP3.87
Rot. Bonds3

About 2-(trifluoromethylsulfanyl)propylbenzene

2-(trifluoromethylsulfanyl)propylbenzene (PubChem CID 102526857) has the molecular formula C10H11F3S and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)propylbenzene.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)propylbenzene
PubChem CID102526857
Molecular FormulaC10H11F3S
Molecular Weight220.26 g/mol
Exact Mass220.05
IUPAC Name2-(trifluoromethylsulfanyl)propylbenzene
SMILESCC(Cc1ccccc1)SC(F)(F)F
InChIInChI=1S/C10H11F3S/c1-8(14-10(11,12)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyCNIYXXQILMRAMA-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)propylbenzene?
The IUPAC name of 2-(trifluoromethylsulfanyl)propylbenzene (CID 102526857) is 2-(trifluoromethylsulfanyl)propylbenzene.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)propylbenzene?
The canonical SMILES for 2-(trifluoromethylsulfanyl)propylbenzene is CC(Cc1ccccc1)SC(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfanyl)propylbenzene?
The InChIKey is CNIYXXQILMRAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3S/c1-8(14-10(11,12)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 2-(trifluoromethylsulfanyl)propylbenzene?
2-(trifluoromethylsulfanyl)propylbenzene has a molecular weight of 220.26 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)propylbenzene is sourced from PubChem (CID 102526857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).