1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene

C8H10F6S2 — CID 10379130

IUPAC1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene
SMILESCCSC(SCC)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F6S2/c1-3-15-6(16-4-2)5(9)7(10,11)8(12,13)14/h3-4H2,1-2H3
InChIKeyBTSVADGGHXXSGY-UHFFFAOYSA-N
MW284.29 g/mol
LogP4.83
Rot. Bonds5

About 1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene

1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene (PubChem CID 10379130) has the molecular formula C8H10F6S2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene.

Molecular Properties

Compound Name1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene
PubChem CID10379130
Molecular FormulaC8H10F6S2
Molecular Weight284.29 g/mol
Exact Mass284.01
IUPAC Name1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene
SMILESCCSC(SCC)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F6S2/c1-3-15-6(16-4-2)5(9)7(10,11)8(12,13)14/h3-4H2,1-2H3
InChIKeyBTSVADGGHXXSGY-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1,2,2,3,4-heptafluorohex-3-ene
CID 57455083
1,1,1,2,2,3,4-heptafluorohex-3-ene
CID 76545614
2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene
CID 15938579
(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 145166543
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
1,1,2,3,4,4,5,5,5-nonafluoro-1-(1,1,2,3,4,4,5,5,5-nonafluoropent-2-enoxy)pent-2-ene
CID 141460580
S-ethyl 3,3,3-trifluoropropanethioate
CID 19101953
1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene
CID 87084484
(3E)-6,6-bis(ethylsulfanyl)-3-methyl-5-(trifluoromethyl)hexa-3,5-dienoic acid
CID 102573472
ethyl 3-ethylsulfanylcarbonyl-4,5,5,5-tetrafluoropent-3-enoate
CID 135040835
1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene
CID 18629941
(Z)-3,4,4,5,5,5-hexafluoropent-2-ene
CID 57455081

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene?
The IUPAC name of 1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene (CID 10379130) is 1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene.
What is the SMILES notation for 1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene?
The canonical SMILES for 1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene is CCSC(SCC)=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene?
The InChIKey is BTSVADGGHXXSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6S2/c1-3-15-6(16-4-2)5(9)7(10,11)8(12,13)14/h3-4H2,1-2H3.
What are the key properties of 1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene?
1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene has a molecular weight of 284.29 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene is sourced from PubChem (CID 10379130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).