3-ethylsulfanyl-1,1,2,2-tetrafluoropropane

C5H8F4S — CID 86195322

IUPAC3-ethylsulfanyl-1,1,2,2-tetrafluoropropane
SMILESCCSCC(F)(F)C(F)F
InChIInChI=1S/C5H8F4S/c1-2-10-3-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKeyUBXUYZVWEUDNEN-UHFFFAOYSA-N
MW176.18 g/mol
LogP2.64
Rot. Bonds4

About 3-ethylsulfanyl-1,1,2,2-tetrafluoropropane

3-ethylsulfanyl-1,1,2,2-tetrafluoropropane (PubChem CID 86195322) has the molecular formula C5H8F4S and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-ethylsulfanyl-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name3-ethylsulfanyl-1,1,2,2-tetrafluoropropane
PubChem CID86195322
Molecular FormulaC5H8F4S
Molecular Weight176.18 g/mol
Exact Mass176.03
IUPAC Name3-ethylsulfanyl-1,1,2,2-tetrafluoropropane
SMILESCCSCC(F)(F)C(F)F
InChIInChI=1S/C5H8F4S/c1-2-10-3-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKeyUBXUYZVWEUDNEN-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.64
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 3-ethylsulfanyl-1,1,2,2-tetrafluoropropane?
The IUPAC name of 3-ethylsulfanyl-1,1,2,2-tetrafluoropropane (CID 86195322) is 3-ethylsulfanyl-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 3-ethylsulfanyl-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 3-ethylsulfanyl-1,1,2,2-tetrafluoropropane is CCSCC(F)(F)C(F)F.
What is the InChIKey of 3-ethylsulfanyl-1,1,2,2-tetrafluoropropane?
The InChIKey is UBXUYZVWEUDNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4S/c1-2-10-3-5(8,9)4(6)7/h4H,2-3H2,1H3.
What are the key properties of 3-ethylsulfanyl-1,1,2,2-tetrafluoropropane?
3-ethylsulfanyl-1,1,2,2-tetrafluoropropane has a molecular weight of 176.18 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 86195322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).