chempirical

1-Bromoundecafluorocyclohexane

C6BrF11CAS 336-13-0360.95 g/mol

Open in Covalent MOL file
FFFFFBrFFFFFF
Alkyl halide

Properties

Molecular formula
C6BrF11
Molar mass
360.95 g/mol
Exact mass
359.9008 Da
logP
4.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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
336-13-0
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)Br)(F)F)(F)F)(F)F
InChIKey
ZAGWQKRFOLDLGQ-UHFFFAOYSA-N
InChI
InChI=1S/C6BrF11/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12

Weigh it out

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Work with 1-Bromoundecafluorocyclohexane

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

1,2-Dibromohexafluorocyclobutane377-40-279 % similar 2-Bromo-1,1,1,2,3,3,3-heptafluoropropane422-77-547 % similar Octafluorocyclobutane115-25-346 % similar Perfluorocyclohexane355-68-046 % similar 1,8-Dibromoperfluorooctane812-58-844 % similar 1,6-Dibromododecafluorohexane918-22-944 % similar Perfluoropentadecane2264-03-144 % similar Perfluorooctane307-34-644 % similar

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

Same formula

1-Bromo-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane125112-68-7

Elsewhere

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