3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene

C5H5F5S — CID 174863409

IUPAC3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene
SMILESC=CCSC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5S/c1-2-3-11-5(9,10)4(6,7)8/h2H,1,3H2
InChIKeyJPWOXOQWMLFDIX-UHFFFAOYSA-N
MW192.15 g/mol
LogP3.06
Rot. Bonds3

About 3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene

3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene (PubChem CID 174863409) has the molecular formula C5H5F5S and a molecular weight of 192.15 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene
PubChem CID174863409
Molecular FormulaC5H5F5S
Molecular Weight192.15 g/mol
Exact Mass192.00
IUPAC Name3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene
SMILESC=CCSC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5S/c1-2-3-11-5(9,10)4(6,7)8/h2H,1,3H2
InChIKeyJPWOXOQWMLFDIX-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene (CID 174863409) is 3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene is C=CCSC(F)(F)C(F)(F)F.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene?
The InChIKey is JPWOXOQWMLFDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5S/c1-2-3-11-5(9,10)4(6,7)8/h2H,1,3H2.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene?
3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene has a molecular weight of 192.15 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethylsulfanyl)prop-1-ene is sourced from PubChem (CID 174863409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).