4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluoro-4'-propyl-1,1'-biphenyl

C₂₂H₁₅F₇OCAS 303186-20-1428.35 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₂₂H₁₅F₇O
Molar mass: 428.35 g/mol
Exact mass: 428.1011 Da
Melting point: 42.511 °C
logP: 7.13Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Danger

H360 May damage fertility or the unborn child27.3% of notifiers
H360FD May damage fertility; May damage the unborn child72.7% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

303186-20-1

SMILES

CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1

InChIKey

YJUHXJQZJUQYJJ-UHFFFAOYSA-N

InChI

InChI=1S/C22H15F7O/c1-2-3-12-4-6-13(7-5-12)14-8-16(23)20(17(24)9-14)22(28,29)30-15-10-18(25)21(27)19(26)11-15/h4-11H,2-3H2,1H3

Weigh it out

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

Names and synonyms

7 names

4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-4′-propyl-1,1′-biphenyl
1,1′-Biphenyl, 4-[difluoro(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-4′-propyl-
PUQU 3F
PGQU 3F
3,5-Difluoro-4′-propyl-4-((3,4,5-trifluorophenoxy)difluoromethyl)biphenyl
3-BB(F,F)XB(F,F)-F
2-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene

Work with 4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluoro-4'-propyl-1,1'-biphenyl

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-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluoro-1,1'-biphenyl303186-19-880 % similar 3-BB(F)B(F,F)-F205806-87-755 % similar 2-BB(F)B-395759-44-743 % similar B-(3-Fluoro-4'-propyl(1,1'-biphenyl)-4-yl)boronic acid909709-42-842 % similar 3,4,5-Trifluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl132123-39-841 % similar 5-[Difluoro[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]methoxy]-1,2,3-trifluorobenzene208338-50-540 % similar 3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl137019-95-539 % similar 4-(4-N-Propylphenyl)phenol59748-39-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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