2-Bromo-3,3,3-trifluoro-1-propene
Properties
- Molecular formula
- C3H2BrF3
- Molar mass
- 174.95 g/mol
- Exact mass
- 173.9292 Da
- Boiling point
- 33–33.5 °C
- logP
- 2.46Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation15.1% of notifiers
- H319 Causes serious eye irritation15.1% of notifiers
- H335 May cause respiratory irritation20.8% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1514-82-5SMILES
C=C(Br)C(F)(F)FInChIKey
QKBKGNDTLQFSEU-UHFFFAOYSA-NInChI
InChI=1S/C3H2BrF3/c1-2(4)3(5,6)7/h1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1-Propene, 2-bromo-3,3,3-trifluoro-
- Propene, 2-bromo-3,3,3-trifluoro-
- 2-Bromo-3,3,3-trifluoropropene
- 3,3,3-Trifluoro-2-bromopropene
- NSC 117350
- Halon 1323
- R 1233XfB
Work with 2-Bromo-3,3,3-trifluoro-1-propene
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
2-Bromo-3,3,4,4,4-pentafluoro-1-butene68318-95-650 % similar
2,3,3,3-Tetrafluoropropene754-12-138 % similar
1233Xf2730-62-336 % similar
2-Bromo-1,1,3,3,3-pentafluoro-1-propene431-49-235 % similar
1,2-Dibromo-3,3,3-trifluoro-1-propene431-22-133 % similar
1-Bromopentafluoropropene53692-47-033 % similar
2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene400-41-932 % similar
Hexafluoropropylene116-15-432 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.