3,3,4,4,5,5,6,6-Octafluoroocta-1,7-diene
Properties
- Molecular formula
- C8H6F8
- Molar mass
- 254.12 g/mol
- Exact mass
- 254.0342 Da
- Density
- 1.361 g/mL (at 20 °C)
- Boiling point
- 123 °C
- logP
- 3.90Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 5
Hazards
Danger
- H225 Highly Flammable liquid and vapor50% of notifiers
- H226 Flammable liquid and vapor50% of notifiers
- H413 May cause long lasting harmful effects to aquatic life25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
678-65-9SMILES
C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CInChIKey
XRSMAKAYKVRPSA-UHFFFAOYSA-NInChI
InChI=1S/C8H6F8/c1-3-5(9,10)7(13,14)8(15,16)6(11,12)4-2/h3-4H,1-2H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 3,3,4,4,5,5,6,6-Octafluoro-1,7-octadiene
- 1,7-Octadiene, 3,3,4,4,5,5,6,6-octafluoro-
- 1,4-Divinyloctafluorobutane
- 1,4-Divinylperfluorobutane
Work with 3,3,4,4,5,5,6,6-Octafluoroocta-1,7-diene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Dodecafluoro-1,9-decadiene1800-91-594 % similar
1,8-Divinylperfluorooctane35192-44-094 % similar
(Perfluorobutyl)ethylene19430-93-479 % similar
Heptadecafluoro-1-decene21652-58-475 % similar
(Perfluorohexyl)ethylene25291-17-275 % similar
1H,1H,2H-Perfluoro-1-dodecene30389-25-475 % similar
4-Bromo-3,3,4,4-tetrafluoro-1-butene18599-22-950 % similar
3,3,3-Trifluoropropene677-21-442 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds