7,8-Difluoro-6,11-dihydrodibenzo[B,E]thiepin-11-ol

C₁₄H₁₀F₂OSCAS 1985607-83-7264.29 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Sulfide

Properties

Molecular formula: C₁₄H₁₀F₂OS
Molar mass: 264.29 g/mol
Exact mass: 264.0420 Da
logP: 3.65Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

1985607-83-7

SMILES

OC1c2ccccc2SCc2c1ccc(F)c2F

InChIKey

OBEXFUFBCNVOKB-UHFFFAOYSA-N

InChI

InChI=1S/C14H10F2OS/c15-11-6-5-8-10(13(11)16)7-18-12-4-2-1-3-9(12)14(8)17/h1-6,14,17H,7H2

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Names and synonyms

1 names

Dibenzo[b,e]thiepin-11-ol, 7,8-difluoro-6,11-dihydro-

Work with 7,8-Difluoro-6,11-dihydrodibenzo[B,E]thiepin-11-ol

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

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

Elsewhere

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