1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene

C22H14Br2F6O2 — CID 86588170

IUPAC1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
SMILESFC(F)(F)c1ccccc1OCc1cc(Br)c(COc2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C22H14Br2F6O2/c23-17-10-14(12-32-20-8-4-2-6-16(20)22(28,29)30)18(24)9-13(17)11-31-19-7-3-1-5-15(19)21(25,26)27/h1-10H,11-12H2
InChIKeyFJTDBRSUUVKOEV-UHFFFAOYSA-N
MW584.15 g/mol
LogP8.41
Rot. Bonds6

About 1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene

1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene (PubChem CID 86588170) has the molecular formula C22H14Br2F6O2 and a molecular weight of 584.15 g/mol. Its IUPAC name is 1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
PubChem CID86588170
Molecular FormulaC22H14Br2F6O2
Molecular Weight584.15 g/mol
Exact Mass581.93
IUPAC Name1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
SMILESFC(F)(F)c1ccccc1OCc1cc(Br)c(COc2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C22H14Br2F6O2/c23-17-10-14(12-32-20-8-4-2-6-16(20)22(28,29)30)18(24)9-13(17)11-31-19-7-3-1-5-15(19)21(25,26)27/h1-10H,11-12H2
InChIKeyFJTDBRSUUVKOEV-UHFFFAOYSA-N
XLogP8.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.15
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
4-[(2-bromophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81117259
3-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219492
[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62450904
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221012
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
4-[(2-bromo-5-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 63404713
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 106994341
[3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 55077539

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene?
The IUPAC name of 1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene (CID 86588170) is 1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene is FC(F)(F)c1ccccc1OCc1cc(Br)c(COc2ccccc2C(F)(F)F)cc1Br.
What is the InChIKey of 1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene?
The InChIKey is FJTDBRSUUVKOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2F6O2/c23-17-10-14(12-32-20-8-4-2-6-16(20)22(28,29)30)18(24)9-13(17)11-31-19-7-3-1-5-15(19)21(25,26)27/h1-10H,11-12H2.
What are the key properties of 1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene?
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene has a molecular weight of 584.15 g/mol, XLogP of 8.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 86588170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).