4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene

C15H8Br2F6O2 — CID 166607724

IUPAC4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)ccc1OCOc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H8Br2F6O2/c16-8-1-3-12(10(5-8)14(18,19)20)24-7-25-13-4-2-9(17)6-11(13)15(21,22)23/h1-6H,7H2
InChIKeyVPLNZBDTECEWJG-UHFFFAOYSA-N
MW494.02 g/mol
LogP6.66
Rot. Bonds4

About 4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene

4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene (PubChem CID 166607724) has the molecular formula C15H8Br2F6O2 and a molecular weight of 494.02 g/mol. Its IUPAC name is 4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
PubChem CID166607724
Molecular FormulaC15H8Br2F6O2
Molecular Weight494.02 g/mol
Exact Mass491.88
IUPAC Name4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)ccc1OCOc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H8Br2F6O2/c16-8-1-3-12(10(5-8)14(18,19)20)24-7-25-13-4-2-9(17)6-11(13)15(21,22)23/h1-6H,7H2
InChIKeyVPLNZBDTECEWJG-UHFFFAOYSA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.02
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
CID 166607729
4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155
4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene
CID 107284389
ethane;ethyl 2-[4-bromo-2-(trifluoromethyl)phenoxy]acetate
CID 154670957
4-[4-bromo-2-(trifluoromethyl)phenoxy]aniline
CID 65483620
2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107713703
(1S)-1-[4-bromo-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-1-amine
CID 150554354
tert-butyl N-[2-[4-bromo-2-(trifluoromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 67294198
4-(methoxymethoxy)-3-(trifluoromethyl)aniline
CID 65365194
4-bromo-2-tert-butyl-1-propoxybenzene
CID 22619457
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
CID 107089323

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene (CID 166607724) is 4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(Br)ccc1OCOc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene?
The InChIKey is VPLNZBDTECEWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2F6O2/c16-8-1-3-12(10(5-8)14(18,19)20)24-7-25-13-4-2-9(17)6-11(13)15(21,22)23/h1-6H,7H2.
What are the key properties of 4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene?
4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene has a molecular weight of 494.02 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 166607724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).