chempirical

2-Chloro-1-ethoxy-1,1,2-trifluoroethane

C4H6ClF3OCAS 310-71-4162.54 g/mol

Open in Covalent MOL file
OFFFCl
Alkyl halideEther

Properties

Molecular formula
C4H6ClF3O
Molar mass
162.54 g/mol
Exact mass
162.0059 Da
Boiling point
82 °C (at 630 Torr)
logP
2.15Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
310-71-4
SMILES
CCOC(F)(F)C(F)Cl
InChIKey
WOKICPFFJCXEDW-UHFFFAOYSA-N
InChI
InChI=1S/C4H6ClF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3

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Names and synonyms

4 names
  • Ethane, 2-chloro-1-ethoxy-1,1,2-trifluoro-
  • Ether, 2-chloro-1,1,2-trifluoroethyl ethyl
  • Ethoxyflurane
  • 2-Chloro-1,1,2-trifluoroethyl ethyl ether

Reactions

Work with 2-Chloro-1-ethoxy-1,1,2-trifluoroethane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Ethoxy-1,1,2,2-tetrafluoroethane512-51-658 % similar 2-Chloro-1,1,2-trifluoro-1-methoxyethane425-87-656 % similar Allyl 2-chloro-1,1,2-trifluoroethyl ether380-44-955 % similar Ethyl 1,1,2,3,3,3-hexafluoropropyl ether380-34-752 % similar 2-Bromo-1,1,2-trifluoroethyl ethyl ether380-78-952 % similar Enflurane13838-16-950 % similar 2,2-Diethoxypropane126-84-138 % similar 1-Chloro-1,2,2,2-tetrafluoroethane2837-89-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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