4,4,5,5,6,6,6-heptafluorohex-2-ene

C6H5F7 — CID 2774912

IUPAC4,4,5,5,6,6,6-heptafluorohex-2-ene
SMILESCC=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F7/c1-2-3-4(7,8)5(9,10)6(11,12)13/h2-3H,1H3
InChIKeyHVOUHYGSLBPLGT-UHFFFAOYSA-N
MW210.09 g/mol
LogP3.40
Rot. Bonds2

About 4,4,5,5,6,6,6-heptafluorohex-2-ene

4,4,5,5,6,6,6-heptafluorohex-2-ene (PubChem CID 2774912) has the molecular formula C6H5F7 and a molecular weight of 210.09 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluorohex-2-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluorohex-2-ene
PubChem CID2774912
Molecular FormulaC6H5F7
Molecular Weight210.09 g/mol
Exact Mass210.03
IUPAC Name4,4,5,5,6,6,6-heptafluorohex-2-ene
SMILESCC=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F7/c1-2-3-4(7,8)5(9,10)6(11,12)13/h2-3H,1H3
InChIKeyHVOUHYGSLBPLGT-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 53.40
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 4,4,5,5,6,6,6-heptafluorohex-2-ene?
The IUPAC name of 4,4,5,5,6,6,6-heptafluorohex-2-ene (CID 2774912) is 4,4,5,5,6,6,6-heptafluorohex-2-ene.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluorohex-2-ene?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluorohex-2-ene is CC=CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,6-heptafluorohex-2-ene?
The InChIKey is HVOUHYGSLBPLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7/c1-2-3-4(7,8)5(9,10)6(11,12)13/h2-3H,1H3.
What are the key properties of 4,4,5,5,6,6,6-heptafluorohex-2-ene?
4,4,5,5,6,6,6-heptafluorohex-2-ene has a molecular weight of 210.09 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluorohex-2-ene is sourced from PubChem (CID 2774912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).