2,2,3,3,4,4,4-Heptafluoro-1-phenylbutan-1-one

C₁₀H₅F₇OCAS 559-91-1274.14 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₅F₇O
Molar mass: 274.14 g/mol
Exact mass: 274.0229 Da
logP: 3.70Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

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

Aggregated from 5 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

559-91-1

SMILES

C1=CC=C(C=C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F

InChIKey

UKYZDGAVBNKBPQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H5F7O/c11-8(12,9(13,14)10(15,16)17)7(18)6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Names and synonyms

1 names

(Heptafluorobutyro)phenone

Work with 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutan-1-one

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

2,2,3,3,3-Pentafluoro-1-phenylpropan-1-one394-52-576 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-755 % similar 2-Chloro-2,2-difluoroacetophenone384-67-850 % similar Perfluorobutanoic acid375-22-445 % similar 1,2,2,2-Tetraphenylethanone466-37-545 % similar 2,2-Dimethyl-1-phenyl-1-propanone938-16-945 % similar 2-Bromoisobutyrophenone10409-54-842 % similar 2-Hydroxy-2-methyl-1-phenylpropan-1-one7473-98-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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