5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene

C8H9F7 — CID 24973628

IUPAC5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene
SMILESCC(C)=CCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7/c1-5(2)3-4-6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3
InChIKeyIRTUGDDEIPUGDV-UHFFFAOYSA-N
MW238.15 g/mol
LogP4.18
Rot. Bonds3

About 5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene

5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene (PubChem CID 24973628) has the molecular formula C8H9F7 and a molecular weight of 238.15 g/mol. Its IUPAC name is 5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene.

Molecular Properties

Compound Name5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene
PubChem CID24973628
Molecular FormulaC8H9F7
Molecular Weight238.15 g/mol
Exact Mass238.06
IUPAC Name5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene
SMILESCC(C)=CCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7/c1-5(2)3-4-6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3
InChIKeyIRTUGDDEIPUGDV-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene?
The IUPAC name of 5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene (CID 24973628) is 5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene.
What is the SMILES notation for 5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene?
The canonical SMILES for 5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene is CC(C)=CCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene?
The InChIKey is IRTUGDDEIPUGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7/c1-5(2)3-4-6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3.
What are the key properties of 5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene?
5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene has a molecular weight of 238.15 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-ene is sourced from PubChem (CID 24973628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).