5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene

C13H6Br2F4O — CID 86677430

IUPAC5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene
SMILESFc1cc(Br)cc(F)c1C(F)(F)Oc1ccc(Br)cc1
InChIInChI=1S/C13H6Br2F4O/c14-7-1-3-9(4-2-7)20-13(18,19)12-10(16)5-8(15)6-11(12)17/h1-6H
InChIKeyBFNOULMGNJQIGR-UHFFFAOYSA-N
MW413.99 g/mol
LogP5.62
Rot. Bonds3

About 5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene

5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene (PubChem CID 86677430) has the molecular formula C13H6Br2F4O and a molecular weight of 413.99 g/mol. Its IUPAC name is 5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene
PubChem CID86677430
Molecular FormulaC13H6Br2F4O
Molecular Weight413.99 g/mol
Exact Mass411.87
IUPAC Name5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene
SMILESFc1cc(Br)cc(F)c1C(F)(F)Oc1ccc(Br)cc1
InChIInChI=1S/C13H6Br2F4O/c14-7-1-3-9(4-2-7)20-13(18,19)12-10(16)5-8(15)6-11(12)17/h1-6H
InChIKeyBFNOULMGNJQIGR-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.99
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-[[3,5-difluoro-4-(trifluoromethylsulfanyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58756020
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
CID 21138534
5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738372
5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 58738407
1-[4-[(4-bromophenoxy)-difluoromethyl]-2-fluorophenyl]-2,3,4,5-tetrafluorobenzene
CID 118603322
2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 143238943
4-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]benzenethiol
CID 134374860
1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol
CID 169242990
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride
CID 173455323
4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol
CID 134241601
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 20752077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene?
The IUPAC name of 5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene (CID 86677430) is 5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene?
The canonical SMILES for 5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene is Fc1cc(Br)cc(F)c1C(F)(F)Oc1ccc(Br)cc1.
What is the InChIKey of 5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene?
The InChIKey is BFNOULMGNJQIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2F4O/c14-7-1-3-9(4-2-7)20-13(18,19)12-10(16)5-8(15)6-11(12)17/h1-6H.
What are the key properties of 5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene?
5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene has a molecular weight of 413.99 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene is sourced from PubChem (CID 86677430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).