4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene

C8H9F7S — CID 91261636

IUPAC4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
SMILESCSCC=C(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7S/c1-5(3-4-16-2)6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3
InChIKeyMZHOJSSHZYIRFJ-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.13
Rot. Bonds4

About 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene

4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene (PubChem CID 91261636) has the molecular formula C8H9F7S and a molecular weight of 270.21 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
PubChem CID91261636
Molecular FormulaC8H9F7S
Molecular Weight270.21 g/mol
Exact Mass270.03
IUPAC Name4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
SMILESCSCC=C(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7S/c1-5(3-4-16-2)6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3
InChIKeyMZHOJSSHZYIRFJ-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene?
The IUPAC name of 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene (CID 91261636) is 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene is CSCC=C(C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene?
The InChIKey is MZHOJSSHZYIRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7S/c1-5(3-4-16-2)6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3.
What are the key properties of 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene?
4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene has a molecular weight of 270.21 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene is sourced from PubChem (CID 91261636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).