1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene

C26H16Br4F2O — CID 57306836

IUPAC1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene
SMILESFc1cc(Br)c(C(OC(c2ccccc2)c2c(Br)cc(F)cc2Br)c2ccccc2)c(Br)c1
InChIInChI=1S/C26H16Br4F2O/c27-19-11-17(31)12-20(28)23(19)25(15-7-3-1-4-8-15)33-26(16-9-5-2-6-10-16)24-21(29)13-18(32)14-22(24)30/h1-14,25-26H
InChIKeyUXVRASSNKPFGCC-UHFFFAOYSA-N
MW702.03 g/mol
LogP9.91
Rot. Bonds6

About 1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene

1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene (PubChem CID 57306836) has the molecular formula C26H16Br4F2O and a molecular weight of 702.03 g/mol. Its IUPAC name is 1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene.

Molecular Properties

Compound Name1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene
PubChem CID57306836
Molecular FormulaC26H16Br4F2O
Molecular Weight702.03 g/mol
Exact Mass697.79
IUPAC Name1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene
SMILESFc1cc(Br)c(C(OC(c2ccccc2)c2c(Br)cc(F)cc2Br)c2ccccc2)c(Br)c1
InChIInChI=1S/C26H16Br4F2O/c27-19-11-17(31)12-20(28)23(19)25(15-7-3-1-4-8-15)33-26(16-9-5-2-6-10-16)24-21(29)13-18(32)14-22(24)30/h1-14,25-26H
InChIKeyUXVRASSNKPFGCC-UHFFFAOYSA-N
XLogP9.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.03
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Flunarizine impurity 53
CID 53473155
2-Bromo-4,4'-difluorobenzhydryl methyl ether
CID 12319473
1-Bromo-2-[(4-fluorophenyl)-methoxymethyl]benzene
CID 12319480
1-Fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene
CID 15555310
1-[[(2,3-Difluorophenyl)-phenylmethoxy]-phenylmethyl]-2,3-difluorobenzene
CID 19030258
1-Benzyl-3-[[2-(2-bromophenyl)-3,3,3-trifluoropropoxy]methyl]benzene
CID 20036646
2-(4-Bromo-2-fluorophenyl)-3-[2-(4-bromo-2-fluorophenyl)oxan-3-yl]oxyoxane
CID 22613655
1-Bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene
CID 57251097
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

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene?
The IUPAC name of 1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene (CID 57306836) is 1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene.
What is the SMILES notation for 1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene?
The canonical SMILES for 1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene is Fc1cc(Br)c(C(OC(c2ccccc2)c2c(Br)cc(F)cc2Br)c2ccccc2)c(Br)c1.
What is the InChIKey of 1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene?
The InChIKey is UXVRASSNKPFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Br4F2O/c27-19-11-17(31)12-20(28)23(19)25(15-7-3-1-4-8-15)33-26(16-9-5-2-6-10-16)24-21(29)13-18(32)14-22(24)30/h1-14,25-26H.
What are the key properties of 1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene?
1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene has a molecular weight of 702.03 g/mol, XLogP of 9.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-[[(2,6-dibromo-4-fluorophenyl)-phenylmethoxy]-phenylmethyl]-5-fluorobenzene is sourced from PubChem (CID 57306836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).