1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene

C8H9F7 — CID 88590928

IUPAC1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene
SMILESCC(CC(C)(F)C(F)(F)F)C(F)=C(F)F
InChIInChI=1S/C8H9F7/c1-4(5(9)6(10)11)3-7(2,12)8(13,14)15/h4H,3H2,1-2H3
InChIKeyVAXINGOITSTVMW-UHFFFAOYSA-N
MW238.15 g/mol
LogP4.38
Rot. Bonds3

About 1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene

1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene (PubChem CID 88590928) has the molecular formula C8H9F7 and a molecular weight of 238.15 g/mol. Its IUPAC name is 1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene.

Molecular Properties

Compound Name1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene
PubChem CID88590928
Molecular FormulaC8H9F7
Molecular Weight238.15 g/mol
Exact Mass238.06
IUPAC Name1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene
SMILESCC(CC(C)(F)C(F)(F)F)C(F)=C(F)F
InChIInChI=1S/C8H9F7/c1-4(5(9)6(10)11)3-7(2,12)8(13,14)15/h4H,3H2,1-2H3
InChIKeyVAXINGOITSTVMW-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene?
The IUPAC name of 1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene (CID 88590928) is 1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene.
What is the SMILES notation for 1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene?
The canonical SMILES for 1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene is CC(CC(C)(F)C(F)(F)F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene?
The InChIKey is VAXINGOITSTVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7/c1-4(5(9)6(10)11)3-7(2,12)8(13,14)15/h4H,3H2,1-2H3.
What are the key properties of 1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene?
1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene has a molecular weight of 238.15 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,5,6,6,6-heptafluoro-3,5-dimethylhex-1-ene is sourced from PubChem (CID 88590928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).