(2E)-1-Bromo-1,1-difluorohept-2-ene

C₇H₁₁BrF₂CAS 262296-38-8213.07 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₇H₁₁BrF₂
Molar mass: 213.07 g/mol
Exact mass: 212.0012 Da
logP: 3.72Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

262296-38-8

SMILES

CCCC/C=C/C(F)(F)Br

InChIKey

LQSFBLRBYQAEKS-AATRIKPKSA-N

InChI

InChI=1S/C7H11BrF2/c1-2-3-4-5-6-7(8,9)10/h5-6H,2-4H2,1H3/b6-5+

Weigh it out

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

Names and synonyms

1 names

1-Bromo-1,1-difluoro-2-heptene

Work with (2E)-1-Bromo-1,1-difluorohept-2-ene

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

(5E)-5-Decene7433-56-948 % similar 4-Nonene2198-23-444 % similar 2-Heptene592-77-843 % similar cis-2-Heptene6443-92-143 % similar trans-3-Octene14919-01-841 % similar (Z)-9-Tricosene27519-02-439 % similar cis-3-Octen-1-ol20125-84-239 % similar 2-Heptenol33467-76-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromomethyl-1,1-difluoro-cyclohexane858121-94-5

Elsewhere

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