1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene

C13H8Br2F2O — CID 83233067

IUPAC1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
SMILESFc1cc(Br)cc(COc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C13H8Br2F2O/c14-9-3-8(4-10(16)5-9)7-18-11-1-2-13(17)12(15)6-11/h1-6H,7H2
InChIKeyQKVWVAUGQJNRMC-UHFFFAOYSA-N
MW378.01 g/mol
LogP5.07
Rot. Bonds3

About 1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene

1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene (PubChem CID 83233067) has the molecular formula C13H8Br2F2O and a molecular weight of 378.01 g/mol. Its IUPAC name is 1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
PubChem CID83233067
Molecular FormulaC13H8Br2F2O
Molecular Weight378.01 g/mol
Exact Mass375.89
IUPAC Name1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
SMILESFc1cc(Br)cc(COc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C13H8Br2F2O/c14-9-3-8(4-10(16)5-9)7-18-11-1-2-13(17)12(15)6-11/h1-6H,7H2
InChIKeyQKVWVAUGQJNRMC-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.01
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
4-[(3-bromo-5-fluorophenyl)methoxy]-N-methylaniline
CID 79708992
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 83233328
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000
1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
CID 79701275
4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
CID 163255021
3-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-4-fluoroaniline
CID 104777545
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003210

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene?
The IUPAC name of 1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene (CID 83233067) is 1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene is Fc1cc(Br)cc(COc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene?
The InChIKey is QKVWVAUGQJNRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F2O/c14-9-3-8(4-10(16)5-9)7-18-11-1-2-13(17)12(15)6-11/h1-6H,7H2.
What are the key properties of 1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene?
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene has a molecular weight of 378.01 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene is sourced from PubChem (CID 83233067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).