1-Butoxy-2,3-difluorobenzene

C₁₀H₁₂F₂OCAS 136239-66-2186.20 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₀H₁₂F₂O
Molar mass: 186.20 g/mol
Exact mass: 186.0856 Da
Boiling point: 54–56 °C (at 1 Torr)
logP: 3.14Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

136239-66-2

SMILES

CCCCOc1cccc(F)c1F

InChIKey

HYDIPEHDSUNHPA-UHFFFAOYSA-N

InChI

InChI=1S/C10H12F2O/c1-2-3-7-13-9-6-4-5-8(11)10(9)12/h4-6H,2-3,7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzene, 1-butoxy-2,3-difluoro-
3-Butoxy-1,2-difluorobenzene

Work with 1-Butoxy-2,3-difluorobenzene

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-2,3-difluorobenzene121219-07-670 % similar 4-Butoxy-2,3-difluorophenol136239-68-456 % similar 1,2-Difluoro-3-methoxybenzene134364-69-551 % similar 1-Butoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene208709-55-148 % similar 1-Ethoxy-2-fluorobenzene451-80-947 % similar Butyl phenyl ether1126-79-044 % similar 3-Ethoxy-2-fluorophenylboronic acid855230-61-442 % similar 4-Butoxyphenol122-94-141 % similar

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

Elsewhere

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