2-(trifluoromethylsulfanyl)propane

C4H7F3S — CID 588919

IUPAC2-(trifluoromethylsulfanyl)propane
SMILESCC(C)SC(F)(F)F
InChIInChI=1S/C4H7F3S/c1-3(2)8-4(5,6)7/h3H,1-2H3
InChIKeyVFEKEJTYEQXZRY-UHFFFAOYSA-N
MW144.16 g/mol
LogP2.65
Rot. Bonds1

About 2-(trifluoromethylsulfanyl)propane

2-(trifluoromethylsulfanyl)propane (PubChem CID 588919) has the molecular formula C4H7F3S and a molecular weight of 144.16 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)propane.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)propane
PubChem CID588919
Molecular FormulaC4H7F3S
Molecular Weight144.16 g/mol
Exact Mass144.02
IUPAC Name2-(trifluoromethylsulfanyl)propane
SMILESCC(C)SC(F)(F)F
InChIInChI=1S/C4H7F3S/c1-3(2)8-4(5,6)7/h3H,1-2H3
InChIKeyVFEKEJTYEQXZRY-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)propane?
The IUPAC name of 2-(trifluoromethylsulfanyl)propane (CID 588919) is 2-(trifluoromethylsulfanyl)propane.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)propane?
The canonical SMILES for 2-(trifluoromethylsulfanyl)propane is CC(C)SC(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfanyl)propane?
The InChIKey is VFEKEJTYEQXZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3S/c1-3(2)8-4(5,6)7/h3H,1-2H3.
What are the key properties of 2-(trifluoromethylsulfanyl)propane?
2-(trifluoromethylsulfanyl)propane has a molecular weight of 144.16 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)propane is sourced from PubChem (CID 588919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).