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

C7H3F11 — CID 58915566

IUPAC1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene
SMILESFC(F)=CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F11/c8-3(9)1-4(10,11)2-5(12,6(13,14)15)7(16,17)18/h1H,2H2
InChIKeyGQMSVWNXWDXCGK-UHFFFAOYSA-N
MW296.08 g/mol
LogP4.63
Rot. Bonds3

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

1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene (PubChem CID 58915566) has the molecular formula C7H3F11 and a molecular weight of 296.08 g/mol. Its IUPAC name is 1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene
PubChem CID58915566
Molecular FormulaC7H3F11
Molecular Weight296.08 g/mol
Exact Mass296.01
IUPAC Name1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene
SMILESFC(F)=CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F11/c8-3(9)1-4(10,11)2-5(12,6(13,14)15)7(16,17)18/h1H,2H2
InChIKeyGQMSVWNXWDXCGK-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene?
The IUPAC name of 1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene (CID 58915566) is 1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene is FC(F)=CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene?
The InChIKey is GQMSVWNXWDXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11/c8-3(9)1-4(10,11)2-5(12,6(13,14)15)7(16,17)18/h1H,2H2.
What are the key properties of 1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene?
1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene has a molecular weight of 296.08 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,5,6,6,6-octafluoro-5-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 58915566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).