3,3,4,4,5,5,6-heptafluorohex-1-ene

C6H5F7 — CID 20793154

IUPAC3,3,4,4,5,5,6-heptafluorohex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C6H5F7/c1-2-4(8,9)6(12,13)5(10,11)3-7/h2H,1,3H2
InChIKeyZZLVHRRTKVGHOI-UHFFFAOYSA-N
MW210.09 g/mol
LogP3.05
Rot. Bonds4

About 3,3,4,4,5,5,6-heptafluorohex-1-ene

3,3,4,4,5,5,6-heptafluorohex-1-ene (PubChem CID 20793154) has the molecular formula C6H5F7 and a molecular weight of 210.09 g/mol. Its IUPAC name is 3,3,4,4,5,5,6-heptafluorohex-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5,6-heptafluorohex-1-ene
PubChem CID20793154
Molecular FormulaC6H5F7
Molecular Weight210.09 g/mol
Exact Mass210.03
IUPAC Name3,3,4,4,5,5,6-heptafluorohex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C6H5F7/c1-2-4(8,9)6(12,13)5(10,11)3-7/h2H,1,3H2
InChIKeyZZLVHRRTKVGHOI-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 53.05
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-heptafluorohex-1-ene?
The IUPAC name of 3,3,4,4,5,5,6-heptafluorohex-1-ene (CID 20793154) is 3,3,4,4,5,5,6-heptafluorohex-1-ene.
What is the SMILES notation for 3,3,4,4,5,5,6-heptafluorohex-1-ene?
The canonical SMILES for 3,3,4,4,5,5,6-heptafluorohex-1-ene is C=CC(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 3,3,4,4,5,5,6-heptafluorohex-1-ene?
The InChIKey is ZZLVHRRTKVGHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7/c1-2-4(8,9)6(12,13)5(10,11)3-7/h2H,1,3H2.
What are the key properties of 3,3,4,4,5,5,6-heptafluorohex-1-ene?
3,3,4,4,5,5,6-heptafluorohex-1-ene has a molecular weight of 210.09 g/mol, XLogP of 3.05, 4 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-heptafluorohex-1-ene is sourced from PubChem (CID 20793154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).