1,1,2-Trichloro-2,3,3-trifluorocyclobutane
Properties
- Molecular formula
- C4H2Cl3F3
- Molar mass
- 213.41 g/mol
- Exact mass
- 211.9174 Da
- Boiling point
- 120–121 °C
- logP
- 3.10Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation90.9% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
697-17-6SMILES
FC1(F)CC(Cl)(Cl)C1(F)ClInChIKey
YMUQFZZNJWUHMC-UHFFFAOYSA-NInChI
InChI=1S/C4H2Cl3F3/c5-2(6)1-3(8,9)4(2,7)10/h1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Cyclobutane, 1,1,2-trichloro-2,3,3-trifluoro-
- 1,4,4-Trichloro-1,2,2-trifluorocyclobutane
Work with 1,1,2-Trichloro-2,3,3-trifluorocyclobutane
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
2,3-Dichloro-1,1,1,2,3,4,4,4-octafluorobutane355-20-436 % similar
1,2-Dichlorohexafluorocyclobutane356-18-336 % similar
2,2,3-Trichloro-1,1,1,3,4,4,4-heptafluorobutane335-44-431 % similar
1-Chloro-1,2,2-trifluorocyclobutane661-71-231 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.