5-Bromo-4-chloro-4,5,5-trifluoropentan-1-ol

C5H7BrClF3OCAS 222026-50-8255.46 g/mol

Open in Covalent MOL file
FFBrFClHO
AlcoholAlkyl halide

Properties

Molecular formula
C5H7BrClF3O
Molar mass
255.46 g/mol
Exact mass
253.9321 Da
logP
2.65Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

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
222026-50-8
SMILES
C(CC(C(F)(F)Br)(F)Cl)CO
InChIKey
YTPPNYJNPZSDFJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H7BrClF3O/c6-5(9,10)4(7,8)2-1-3-11/h11H,1-3H2

Weigh it out

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

Work with 5-Bromo-4-chloro-4,5,5-trifluoropentan-1-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

1,4-Dibromo-2-chloro-1,1,2-trifluorobutane378-13-257 % similar 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid232602-79-850 % similar 4,4,5,5,5-Pentafluoro-1-pentanol148043-73-642 % similar 4,4,4-Trifluoro-1-butanol461-18-741 % similar 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol83310-97-841 % similar 3-(Perfluorooctyl)propanol1651-41-840 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-440 % similar 3-(Perfluoropropyl)propanol679-02-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook