1,1,2-Trichloro-2,3,3-trifluorocyclobutane

C₄H₂Cl₃F₃CAS 697-17-6213.41 g/mol

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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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

697-17-6

SMILES

FC1(F)CC(Cl)(Cl)C1(F)Cl

InChIKey

YMUQFZZNJWUHMC-UHFFFAOYSA-N

InChI

InChI=1S/C4H2Cl3F3/c5-2(6)1-3(8,9)4(2,7)10/h1H2

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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. All similar compounds

Elsewhere

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