1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene

C8H8F6S — CID 154096347

IUPAC1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene
SMILESFC(F)=C(F)CCSCCC(F)=C(F)F
InChIInChI=1S/C8H8F6S/c9-5(7(11)12)1-3-15-4-2-6(10)8(13)14/h1-4H2
InChIKeySDDXMAXJAAWZTF-UHFFFAOYSA-N
MW250.21 g/mol
LogP4.66
Rot. Bonds6

About 1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene

1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene (PubChem CID 154096347) has the molecular formula C8H8F6S and a molecular weight of 250.21 g/mol. Its IUPAC name is 1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene.

Molecular Properties

Compound Name1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene
PubChem CID154096347
Molecular FormulaC8H8F6S
Molecular Weight250.21 g/mol
Exact Mass250.03
IUPAC Name1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene
SMILESFC(F)=C(F)CCSCCC(F)=C(F)F
InChIInChI=1S/C8H8F6S/c9-5(7(11)12)1-3-15-4-2-6(10)8(13)14/h1-4H2
InChIKeySDDXMAXJAAWZTF-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene?
The IUPAC name of 1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene (CID 154096347) is 1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene.
What is the SMILES notation for 1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene?
The canonical SMILES for 1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene is FC(F)=C(F)CCSCCC(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene?
The InChIKey is SDDXMAXJAAWZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6S/c9-5(7(11)12)1-3-15-4-2-6(10)8(13)14/h1-4H2.
What are the key properties of 1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene?
1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene has a molecular weight of 250.21 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-4-(3,4,4-trifluorobut-3-enylsulfanyl)but-1-ene is sourced from PubChem (CID 154096347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).