P-Decyl-A,A,A-trifluoroacetophenone

C₁₈H₂₅F₃OCAS 100444-41-5314.39 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₈H₂₅F₃O
Molar mass: 314.39 g/mol
Exact mass: 314.1857 Da
logP: 6.11Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 10

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

100444-41-5

SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(=O)C(F)(F)F

InChIKey

GJNWUVBDBVUZKP-UHFFFAOYSA-N

InChI

InChI=1S/C18H25F3O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(22)18(19,20)21/h11-14H,2-10H2,1H3

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Names and synonyms

1 names

p-Decyl-alpha,alpha,alpha-trifluoroacetophenone

Work with P-Decyl-A,A,A-trifluoroacetophenone

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

4'-N-Butyl-2,2,2-trifluoroacetophenone40739-44-488 % similar P-Octylacetophenone10541-56-762 % similar 1-(4-Hexylphenyl)ethanone37592-72-662 % similar 1-(4-Heptylphenyl)ethanone37593-03-662 % similar 1-(4-Nonylphenyl)ethanone37593-05-862 % similar 1-(4-Pentylphenyl)ethanone37593-02-559 % similar 4-Hexylbenzoic acid21643-38-956 % similar 4-Octylbenzoic acid3575-31-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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