2,3-dibromo-1-ethoxy-4,5-difluorobenzene

C8H6Br2F2O — CID 118813468

IUPAC2,3-dibromo-1-ethoxy-4,5-difluorobenzene
SMILESCCOc1cc(F)c(F)c(Br)c1Br
InChIInChI=1S/C8H6Br2F2O/c1-2-13-5-3-4(11)8(12)7(10)6(5)9/h3H,2H2,1H3
InChIKeyNUIFPYFICYLYLR-UHFFFAOYSA-N
MW315.94 g/mol
LogP3.89
Rot. Bonds2

About 2,3-dibromo-1-ethoxy-4,5-difluorobenzene

2,3-dibromo-1-ethoxy-4,5-difluorobenzene (PubChem CID 118813468) has the molecular formula C8H6Br2F2O and a molecular weight of 315.94 g/mol. Its IUPAC name is 2,3-dibromo-1-ethoxy-4,5-difluorobenzene.

Molecular Properties

Compound Name2,3-dibromo-1-ethoxy-4,5-difluorobenzene
PubChem CID118813468
Molecular FormulaC8H6Br2F2O
Molecular Weight315.94 g/mol
Exact Mass313.88
IUPAC Name2,3-dibromo-1-ethoxy-4,5-difluorobenzene
SMILESCCOc1cc(F)c(F)c(Br)c1Br
InChIInChI=1S/C8H6Br2F2O/c1-2-13-5-3-4(11)8(12)7(10)6(5)9/h3H,2H2,1H3
InChIKeyNUIFPYFICYLYLR-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.94
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,4-diethoxy-2,5-difluorobenzene
CID 58718970
2-(bromomethyl)-1-ethoxy-3,4,5-trifluorobenzene
CID 122361199
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
2-ethoxy-4,5-difluorophenol
CID 131306358
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803
6-bromo-4-ethoxy-2,3-difluorophenol
CID 84707726
1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
CID 59838060
4-bromo-2-ethoxy-5-fluorophenol
CID 118800387
2-bromo-3-ethoxy-6-fluorophenol
CID 119019688
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine
CID 83886558
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-ethoxy-4,5-difluorobenzene?
The IUPAC name of 2,3-dibromo-1-ethoxy-4,5-difluorobenzene (CID 118813468) is 2,3-dibromo-1-ethoxy-4,5-difluorobenzene.
What is the SMILES notation for 2,3-dibromo-1-ethoxy-4,5-difluorobenzene?
The canonical SMILES for 2,3-dibromo-1-ethoxy-4,5-difluorobenzene is CCOc1cc(F)c(F)c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-1-ethoxy-4,5-difluorobenzene?
The InChIKey is NUIFPYFICYLYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2O/c1-2-13-5-3-4(11)8(12)7(10)6(5)9/h3H,2H2,1H3.
What are the key properties of 2,3-dibromo-1-ethoxy-4,5-difluorobenzene?
2,3-dibromo-1-ethoxy-4,5-difluorobenzene has a molecular weight of 315.94 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1-ethoxy-4,5-difluorobenzene is sourced from PubChem (CID 118813468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).