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

C7H8F6 — CID 141339436

IUPAC3,4,4,5,6,6-hexafluorohept-1-ene
SMILESC=CC(F)C(F)(F)C(F)C(C)(F)F
InChIInChI=1S/C7H8F6/c1-3-4(8)7(12,13)5(9)6(2,10)11/h3-5H,1H2,2H3
InChIKeyCHTCEFFSAUNIOE-UHFFFAOYSA-N
MW206.13 g/mol
LogP3.14
Rot. Bonds4

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

3,4,4,5,6,6-hexafluorohept-1-ene (PubChem CID 141339436) has the molecular formula C7H8F6 and a molecular weight of 206.13 g/mol. Its IUPAC name is 3,4,4,5,6,6-hexafluorohept-1-ene.

Molecular Properties

Compound Name3,4,4,5,6,6-hexafluorohept-1-ene
PubChem CID141339436
Molecular FormulaC7H8F6
Molecular Weight206.13 g/mol
Exact Mass206.05
IUPAC Name3,4,4,5,6,6-hexafluorohept-1-ene
SMILESC=CC(F)C(F)(F)C(F)C(C)(F)F
InChIInChI=1S/C7H8F6/c1-3-4(8)7(12,13)5(9)6(2,10)11/h3-5H,1H2,2H3
InChIKeyCHTCEFFSAUNIOE-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,6,6-hexafluorohept-1-ene?
The IUPAC name of 3,4,4,5,6,6-hexafluorohept-1-ene (CID 141339436) is 3,4,4,5,6,6-hexafluorohept-1-ene.
What is the SMILES notation for 3,4,4,5,6,6-hexafluorohept-1-ene?
The canonical SMILES for 3,4,4,5,6,6-hexafluorohept-1-ene is C=CC(F)C(F)(F)C(F)C(C)(F)F.
What is the InChIKey of 3,4,4,5,6,6-hexafluorohept-1-ene?
The InChIKey is CHTCEFFSAUNIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6/c1-3-4(8)7(12,13)5(9)6(2,10)11/h3-5H,1H2,2H3.
What are the key properties of 3,4,4,5,6,6-hexafluorohept-1-ene?
3,4,4,5,6,6-hexafluorohept-1-ene has a molecular weight of 206.13 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,6,6-hexafluorohept-1-ene is sourced from PubChem (CID 141339436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).