6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene

C6H3ClF8 — CID 10923361

IUPAC6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C6H3ClF8/c1-2-3(8,9)4(10,11)5(12,13)6(7,14)15/h2H,1H2
InChIKeyCVTXLGOEFZVUOX-UHFFFAOYSA-N
MW262.53 g/mol
LogP3.91
Rot. Bonds4

About 6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene

6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene (PubChem CID 10923361) has the molecular formula C6H3ClF8 and a molecular weight of 262.53 g/mol. Its IUPAC name is 6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene.

Molecular Properties

Compound Name6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene
PubChem CID10923361
Molecular FormulaC6H3ClF8
Molecular Weight262.53 g/mol
Exact Mass261.98
IUPAC Name6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C6H3ClF8/c1-2-3(8,9)4(10,11)5(12,13)6(7,14)15/h2H,1H2
InChIKeyCVTXLGOEFZVUOX-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 53.91
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 6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene?
The IUPAC name of 6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene (CID 10923361) is 6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene.
What is the SMILES notation for 6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene?
The canonical SMILES for 6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene?
The InChIKey is CVTXLGOEFZVUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF8/c1-2-3(8,9)4(10,11)5(12,13)6(7,14)15/h2H,1H2.
What are the key properties of 6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene?
6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene has a molecular weight of 262.53 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene is sourced from PubChem (CID 10923361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).