(E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene

C8H6F10S — CID 12828099

IUPAC(E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
SMILESCCS/C(=C(/F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F10S/c1-2-19-3(5(9)8(16,17)18)4(6(10,11)12)7(13,14)15/h4H,2H2,1H3/b5-3+
InChIKeyNPKKBLNREIUQDF-HWKANZROSA-N
MW324.18 g/mol
LogP5.22
Rot. Bonds3

About (E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene

(E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene (PubChem CID 12828099) has the molecular formula C8H6F10S and a molecular weight of 324.18 g/mol. Its IUPAC name is (E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name(E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
PubChem CID12828099
Molecular FormulaC8H6F10S
Molecular Weight324.18 g/mol
Exact Mass324.00
IUPAC Name(E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
SMILESCCS/C(=C(/F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F10S/c1-2-19-3(5(9)8(16,17)18)4(6(10,11)12)7(13,14)15/h4H,2H2,1H3/b5-3+
InChIKeyNPKKBLNREIUQDF-HWKANZROSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.18
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of (E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene (CID 12828099) is (E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for (E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for (E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene is CCS/C(=C(/F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
The InChIKey is NPKKBLNREIUQDF-HWKANZROSA-N. The full InChI is InChI=1S/C8H6F10S/c1-2-19-3(5(9)8(16,17)18)4(6(10,11)12)7(13,14)15/h4H,2H2,1H3/b5-3+.
What are the key properties of (E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
(E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene has a molecular weight of 324.18 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 12828099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).