2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene

C13H7Br2F3O — CID 107088900

IUPAC2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene
SMILESFc1cc(Br)cc(Oc2c(F)cc(CBr)cc2F)c1
InChIInChI=1S/C13H7Br2F3O/c14-6-7-1-11(17)13(12(18)2-7)19-10-4-8(15)3-9(16)5-10/h1-5H,6H2
InChIKeyKQMRUFGWWCRQDK-UHFFFAOYSA-N
MW396.00 g/mol
LogP5.55
Rot. Bonds3

About 2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene

2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene (PubChem CID 107088900) has the molecular formula C13H7Br2F3O and a molecular weight of 396.00 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene
PubChem CID107088900
Molecular FormulaC13H7Br2F3O
Molecular Weight396.00 g/mol
Exact Mass393.88
IUPAC Name2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene
SMILESFc1cc(Br)cc(Oc2c(F)cc(CBr)cc2F)c1
InChIInChI=1S/C13H7Br2F3O/c14-6-7-1-11(17)13(12(18)2-7)19-10-4-8(15)3-9(16)5-10/h1-5H,6H2
InChIKeyKQMRUFGWWCRQDK-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.00
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-2-(3,4-dimethylphenoxy)-1,3-difluorobenzene
CID 107086989
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
3-[4-(bromomethyl)-2,6-difluorophenoxy]-5-methoxybenzonitrile
CID 107089455
4-[4-(bromomethyl)-2,6-difluorophenoxy]-2-fluorobenzonitrile
CID 107088864
5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene
CID 79881360
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
3-[4-(bromomethyl)-2,6-difluorophenoxy]-N,N-dimethylaniline
CID 107088145
2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802444
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502
5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
CID 107088431
1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene
CID 86208551
5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline
CID 81322372

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene (CID 107088900) is 2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene is Fc1cc(Br)cc(Oc2c(F)cc(CBr)cc2F)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene?
The InChIKey is KQMRUFGWWCRQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F3O/c14-6-7-1-11(17)13(12(18)2-7)19-10-4-8(15)3-9(16)5-10/h1-5H,6H2.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene?
2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene has a molecular weight of 396.00 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene is sourced from PubChem (CID 107088900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).