2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene

C8H6Br2F2O — CID 122582944

IUPAC2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene
SMILESFc1cc(F)c(Br)c(OCCBr)c1
InChIInChI=1S/C8H6Br2F2O/c9-1-2-13-7-4-5(11)3-6(12)8(7)10/h3-4H,1-2H2
InChIKeyOVNLKTWRIRIGPE-UHFFFAOYSA-N
MW315.94 g/mol
LogP3.50
Rot. Bonds3

About 2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene

2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene (PubChem CID 122582944) has the molecular formula C8H6Br2F2O and a molecular weight of 315.94 g/mol. Its IUPAC name is 2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene.

Molecular Properties

Compound Name2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene
PubChem CID122582944
Molecular FormulaC8H6Br2F2O
Molecular Weight315.94 g/mol
Exact Mass313.88
IUPAC Name2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene
SMILESFc1cc(F)c(Br)c(OCCBr)c1
InChIInChI=1S/C8H6Br2F2O/c9-1-2-13-7-4-5(11)3-6(12)8(7)10/h3-4H,1-2H2
InChIKeyOVNLKTWRIRIGPE-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.94
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene
CID 54074008
2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane
CID 169135247
1-[2-(2-bromoethoxy)-4-fluorophenyl]ethanone
CID 63069077
1-(3-bromopropoxy)-2,4,5-trifluorobenzene
CID 10890898
2-(2-amino-3,5-difluorophenoxy)ethanol
CID 115507300
2,4-difluoro-6-(2-methoxyethoxy)aniline
CID 115507275
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
ethane;1-ethoxy-3,5-difluoro-2-methylbenzene
CID 169134909
2-chloro-1,5-difluoro-3-(4-methoxybutoxy)benzene
CID 59339533
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698
1-bromo-2,4-difluoro-5-propoxybenzene
CID 125115840
2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene
CID 134573994

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene?
The IUPAC name of 2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene (CID 122582944) is 2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene.
What is the SMILES notation for 2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene?
The canonical SMILES for 2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene is Fc1cc(F)c(Br)c(OCCBr)c1.
What is the InChIKey of 2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene?
The InChIKey is OVNLKTWRIRIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2O/c9-1-2-13-7-4-5(11)3-6(12)8(7)10/h3-4H,1-2H2.
What are the key properties of 2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene?
2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene has a molecular weight of 315.94 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene is sourced from PubChem (CID 122582944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).