3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene

C9H3F15 — CID 138678322

IUPAC3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F15/c1-2-3(10,11)5(13,14)7(17,18)6(15,16)4(12,8(19,20)21)9(22,23)24/h2H,1H2
InChIKeyXFVUEFVCOICDDE-UHFFFAOYSA-N
MW396.09 g/mol
LogP5.55
Rot. Bonds5

About 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene

3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene (PubChem CID 138678322) has the molecular formula C9H3F15 and a molecular weight of 396.09 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene
PubChem CID138678322
Molecular FormulaC9H3F15
Molecular Weight396.09 g/mol
Exact Mass396.00
IUPAC Name3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F15/c1-2-3(10,11)5(13,14)7(17,18)6(15,16)4(12,8(19,20)21)9(22,23)24/h2H,1H2
InChIKeyXFVUEFVCOICDDE-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.09
LogP ≤ 55.55
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 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene?
The IUPAC name of 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene (CID 138678322) is 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene?
The InChIKey is XFVUEFVCOICDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F15/c1-2-3(10,11)5(13,14)7(17,18)6(15,16)4(12,8(19,20)21)9(22,23)24/h2H,1H2.
What are the key properties of 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene?
3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene has a molecular weight of 396.09 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)oct-1-ene is sourced from PubChem (CID 138678322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).