2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane

C5H6F6S — CID 12567442

IUPAC2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane
SMILESCCSC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6S/c1-2-12-3(4(6,7)8)5(9,10)11/h3H,2H2,1H3
InChIKeyLZSKGXVSTGMFOH-UHFFFAOYSA-N
MW212.16 g/mol
LogP3.23
Rot. Bonds2

About 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane

2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane (PubChem CID 12567442) has the molecular formula C5H6F6S and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane
PubChem CID12567442
Molecular FormulaC5H6F6S
Molecular Weight212.16 g/mol
Exact Mass212.01
IUPAC Name2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane
SMILESCCSC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6S/c1-2-12-3(4(6,7)8)5(9,10)11/h3H,2H2,1H3
InChIKeyLZSKGXVSTGMFOH-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane (CID 12567442) is 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane is CCSC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is LZSKGXVSTGMFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6S/c1-2-12-3(4(6,7)8)5(9,10)11/h3H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane?
2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 212.16 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 12567442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).