1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene

C28H16Br2F8O — CID 57251097

IUPAC1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cc(Br)c(C(OC(c2ccccc2)c2c(Br)cc(F)cc2C(F)(F)F)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C28H16Br2F8O/c29-21-13-17(31)11-19(27(33,34)35)23(21)25(15-7-3-1-4-8-15)39-26(16-9-5-2-6-10-16)24-20(28(36,37)38)12-18(32)14-22(24)30/h1-14,25-26H
InChIKeyWUOXOWANOIUQDV-UHFFFAOYSA-N
MW680.23 g/mol
LogP10.42
Rot. Bonds6

About 1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene

1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene (PubChem CID 57251097) has the molecular formula C28H16Br2F8O and a molecular weight of 680.23 g/mol. Its IUPAC name is 1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene
PubChem CID57251097
Molecular FormulaC28H16Br2F8O
Molecular Weight680.23 g/mol
Exact Mass677.94
IUPAC Name1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cc(Br)c(C(OC(c2ccccc2)c2c(Br)cc(F)cc2C(F)(F)F)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C28H16Br2F8O/c29-21-13-17(31)11-19(27(33,34)35)23(21)25(15-7-3-1-4-8-15)39-26(16-9-5-2-6-10-16)24-20(28(36,37)38)12-18(32)14-22(24)30/h1-14,25-26H
InChIKeyWUOXOWANOIUQDV-UHFFFAOYSA-N
XLogP10.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.23
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol
CID 101389705
(2,6-Dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol
CID 101389703
1-Benzyl-3-[[2-(2-bromophenyl)-3,3,3-trifluoropropoxy]methyl]benzene
CID 20036646
1-[Phenyl-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]methyl]-2-(trifluoromethyl)benzene
CID 20392648
1,3-Dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene
CID 57306836
8-Bromo-5,6-difluoro-1-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 57802016
1-Bromo-4-[[(4-bromophenyl)-(2-fluorophenyl)methoxy]-(2-fluorophenyl)methyl]benzene
CID 66656297
4-Bromo-1-[[(4-bromo-2-fluorophenyl)-phenylmethoxy]-phenylmethyl]-2-fluorobenzene
CID 66656298
2-Bromo-1-[1-[1-[2-bromo-3-(trifluoromethyl)phenyl]prop-2-enoxy]prop-2-enyl]-3-(trifluoromethyl)benzene
CID 87972677
1,3-Dibromo-2-[2-[[2-(2,6-dibromo-4-fluorophenyl)phenyl]methoxymethyl]phenyl]-5-fluorobenzene
CID 88494330
1-Bromo-2-[2-[[2-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]phenyl]methoxymethyl]phenyl]-5-fluoro-3-(trifluoromethyl)benzene
CID 88494513
5-bromo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isochromene
CID 89852540

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene (CID 57251097) is 1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene is Fc1cc(Br)c(C(OC(c2ccccc2)c2c(Br)cc(F)cc2C(F)(F)F)c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is WUOXOWANOIUQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Br2F8O/c29-21-13-17(31)11-19(27(33,34)35)23(21)25(15-7-3-1-4-8-15)39-26(16-9-5-2-6-10-16)24-20(28(36,37)38)12-18(32)14-22(24)30/h1-14,25-26H.
What are the key properties of 1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene?
1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 680.23 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 57251097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).