2-Chloro-1,1,2-trifluoro-1-methoxyethane
Properties
- Molecular formula
- C3H4ClF3O
- Molar mass
- 148.51 g/mol
- Exact mass
- 147.9903 Da
- Density
- 1.3636 g/mL (at 20 °C)
- Boiling point
- 70.6 °C
- logP
- 1.76Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H310 Fatal in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P262, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P316, P321, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501
Identifiers
CAS number
425-87-6SMILES
COC(F)(F)C(F)ClInChIKey
KKXBMWAROXAWSZ-UHFFFAOYSA-NInChI
InChI=1S/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Ethane, 2-chloro-1,1,2-trifluoro-1-methoxy-
- Ether, 2-chloro-1,1,2-trifluoroethyl methyl
- 2-Chloro-1,1,2-trifluoroethyl methyl ether
- 1-Chloro-1,2,2-trifluoro-2-methoxyethane
Work with 2-Chloro-1,1,2-trifluoro-1-methoxyethane
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
Enflurane13838-16-960 % similar
Methoxyflurane76-38-058 % similar
2-Chloro-1-ethoxy-1,1,2-trifluoroethane310-71-456 % similar
1-Methoxy-1,1,2,2-tetrafluoroethane425-88-754 % similar
1,1,2,3,3,3-Hexafluoropropyl methyl ether382-34-348 % similar
Allyl 2-chloro-1,1,2-trifluoroethyl ether380-44-944 % similar
1-Chloro-1,2,2,2-tetrafluoroethane2837-89-042 % similar
1,2-Dichloro-1,1,2-trifluoroethane354-23-438 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.