Pentafluorophenyl diphenylphosphinate

C18H10F5O2PCAS 138687-69-1384.24 g/mol

Open in Covalent MOL file
POOFFFFF
Aryl halide

Properties

Molecular formula
C18H10F5O2P
Molar mass
384.24 g/mol
Exact mass
384.0339 Da
logP
4.69Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
138687-69-1
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F
InChIKey
OOWSDKUFKGVADH-UHFFFAOYSA-N
InChI
InChI=1S/C18H10F5O2P/c19-13-14(20)16(22)18(17(23)15(13)21)25-26(24,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Weigh it out

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Work with Pentafluorophenyl diphenylphosphinate

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

O-(Diphenylphosphinyl)hydroxylamine72804-96-747 % similar Bis(4-fluorophenyl)phenylphosphine oxide54300-32-237 % similar Triphenylphosphine oxide791-28-637 % similar N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-methylethyl ester1334513-02-836 % similar Isopropyl ((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate1337529-56-236 % similar 2,3,4,5,6-Pentafluorobiphenyl784-14-534 % similar Dimethyl P-phenylphosphonate2240-41-734 % similar Triphenyl phosphate115-86-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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