2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane

C5H7F5S — CID 158061583

IUPAC2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane
SMILESCC(C)SC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5S/c1-3(2)11-5(9,10)4(6,7)8/h3H,1-2H3
InChIKeySXFXQSDAMHALAA-UHFFFAOYSA-N
MW194.17 g/mol
LogP3.28
Rot. Bonds2

About 2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane

2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane (PubChem CID 158061583) has the molecular formula C5H7F5S and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane
PubChem CID158061583
Molecular FormulaC5H7F5S
Molecular Weight194.17 g/mol
Exact Mass194.02
IUPAC Name2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane
SMILESCC(C)SC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5S/c1-3(2)11-5(9,10)4(6,7)8/h3H,1-2H3
InChIKeySXFXQSDAMHALAA-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane (CID 158061583) is 2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane is CC(C)SC(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane?
The InChIKey is SXFXQSDAMHALAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5S/c1-3(2)11-5(9,10)4(6,7)8/h3H,1-2H3.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane?
2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane has a molecular weight of 194.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)propane is sourced from PubChem (CID 158061583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).