3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene

C7H3F11 — CID 54481349

IUPAC3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F11/c1-2-3(8,9)5(11,12)4(10,6(13,14)15)7(16,17)18/h2H,1H2
InChIKeyXPEYWJSDSRRHBK-UHFFFAOYSA-N
MW296.08 g/mol
LogP4.28
Rot. Bonds3

About 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene

3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene (PubChem CID 54481349) has the molecular formula C7H3F11 and a molecular weight of 296.08 g/mol. Its IUPAC name is 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene
PubChem CID54481349
Molecular FormulaC7H3F11
Molecular Weight296.08 g/mol
Exact Mass296.01
IUPAC Name3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F11/c1-2-3(8,9)5(11,12)4(10,6(13,14)15)7(16,17)18/h2H,1H2
InChIKeyXPEYWJSDSRRHBK-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 54.28
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 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene?
The IUPAC name of 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene (CID 54481349) is 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene is C=CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene?
The InChIKey is XPEYWJSDSRRHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11/c1-2-3(8,9)5(11,12)4(10,6(13,14)15)7(16,17)18/h2H,1H2.
What are the key properties of 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene?
3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene has a molecular weight of 296.08 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 54481349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).