1,2-Dichloro-3,3,4,4,5,5-hexafluorocyclopentene
Properties
- Molecular formula
- C5Cl2F6
- Molar mass
- 244.95 g/mol
- Exact mass
- 243.9281 Da
- Density
- 1.6546 g/mL (at 20 °C)
- Melting point
- −105.8 °C
- Boiling point
- 90.7 °C
- logP
- 3.60Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed95.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled11.1% of notifiers
- H331 Toxic if inhaled86.7% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
706-79-6SMILES
FC1(F)C(Cl)=C(Cl)C(F)(F)C1(F)FInChIKey
ABPBVCKGWWGZDP-UHFFFAOYSA-NInChI
InChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Cyclopentene, 1,2-dichloro-3,3,4,4,5,5-hexafluoro-
- Cyclopentene, 1,2-dichlorohexafluoro-
- 1,2-Dichloroperfluorocyclopentene
- 1,2-Dichlorohexafluorocyclopentene
- 1,2-Dichloro-3,3,4,4,5,5-hexafluoro-1-cyclopentene
- NSC 41877
- 1,2-Dichlorohexafluorocyclopent-1-ene
- 3,3,4,4,5,5-Hexafluoro-1,2-dichlorocyclopentene
Work with 1,2-Dichloro-3,3,4,4,5,5-hexafluorocyclopentene
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
1,2-Dichloro-3,3,4,4,5,5,6,6-octafluorocyclohexene336-19-688 % similar
1,2-Dichlorotetrafluorocyclobutene-1377-93-569 % similar
2,2,3,3,4,4-Hexafluoropentanedioyl dichloride678-77-350 % similar
Perfluorocyclopentene559-40-045 % similar
2,3-Dichloro-1,1,1,4,4,4-hexafluoro-2-butene303-04-842 % similar
Heptafluorobutyryl chloride375-16-638 % similar
3,3,4,4,5,5-Hexafluorodihydro-2H-pyran-2,6(3H)-dione376-68-138 % similar
Hexafluoroglutaric acid376-73-838 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.