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

C6H3Cl2F7 — CID 14512773

IUPAC5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C6H3Cl2F7/c1-2-3(9,10)5(12,13)4(7,11)6(8,14)15/h2H,1H2
InChIKeyFGEBIHPLEZRGLT-UHFFFAOYSA-N
MW278.98 g/mol
LogP4.18
Rot. Bonds4

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

5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene (PubChem CID 14512773) has the molecular formula C6H3Cl2F7 and a molecular weight of 278.98 g/mol. Its IUPAC name is 5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene.

Molecular Properties

Compound Name5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene
PubChem CID14512773
Molecular FormulaC6H3Cl2F7
Molecular Weight278.98 g/mol
Exact Mass277.95
IUPAC Name5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C6H3Cl2F7/c1-2-3(9,10)5(12,13)4(7,11)6(8,14)15/h2H,1H2
InChIKeyFGEBIHPLEZRGLT-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.98
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene?
The IUPAC name of 5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene (CID 14512773) is 5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene.
What is the SMILES notation for 5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene?
The canonical SMILES for 5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene is C=CC(F)(F)C(F)(F)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene?
The InChIKey is FGEBIHPLEZRGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F7/c1-2-3(9,10)5(12,13)4(7,11)6(8,14)15/h2H,1H2.
What are the key properties of 5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene?
5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene has a molecular weight of 278.98 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3,3,4,4,5,6,6-heptafluorohex-1-ene is sourced from PubChem (CID 14512773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).