1-Chloromethyl-2,2,3,3-tetrafluorocyclobutane

C₅H₅ClF₄CAS 356-80-9176.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅ClF₄
Molar mass: 176.54 g/mol
Exact mass: 176.0016 Da
logP: 2.52Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

356-80-9

SMILES

C1C(C(C1(F)F)(F)F)CCl

InChIKey

OXWJVEJIBUWIIX-UHFFFAOYSA-N

InChI

InChI=1S/C5H5ClF4/c6-2-3-1-4(7,8)5(3,9)10/h3H,1-2H2

Weigh it out

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Names and synonyms

1 names

3-(Chloromethyl)-1,1,2,2-tetrafluorocyclobutane

Work with 1-Chloromethyl-2,2,3,3-tetrafluorocyclobutane

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

2,3-Dichloro-1,1,1-trifluoropropane338-75-033 % similar cis-1,1,2,2,3,4-Hexafluorocyclobutane22819-47-230 % similar trans-1,1,2,2,3,4-Hexafluorocyclobutane23012-94-430 % similar

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

Elsewhere

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