1,2-dibromo-3-ethoxy-4-fluorobenzene

C8H7Br2FO — CID 118847248

IUPAC1,2-dibromo-3-ethoxy-4-fluorobenzene
SMILESCCOc1c(F)ccc(Br)c1Br
InChIInChI=1S/C8H7Br2FO/c1-2-12-8-6(11)4-3-5(9)7(8)10/h3-4H,2H2,1H3
InChIKeyXKDSEAYAFNKSFQ-UHFFFAOYSA-N
MW297.95 g/mol
LogP3.75
Rot. Bonds2

About 1,2-dibromo-3-ethoxy-4-fluorobenzene

1,2-dibromo-3-ethoxy-4-fluorobenzene (PubChem CID 118847248) has the molecular formula C8H7Br2FO and a molecular weight of 297.95 g/mol. Its IUPAC name is 1,2-dibromo-3-ethoxy-4-fluorobenzene.

Molecular Properties

Compound Name1,2-dibromo-3-ethoxy-4-fluorobenzene
PubChem CID118847248
Molecular FormulaC8H7Br2FO
Molecular Weight297.95 g/mol
Exact Mass295.88
IUPAC Name1,2-dibromo-3-ethoxy-4-fluorobenzene
SMILESCCOc1c(F)ccc(Br)c1Br
InChIInChI=1S/C8H7Br2FO/c1-2-12-8-6(11)4-3-5(9)7(8)10/h3-4H,2H2,1H3
InChIKeyXKDSEAYAFNKSFQ-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.95
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2-ethoxy-6-fluorophenyl)boronic acid
CID 44558166
2-ethoxy-1,4-difluoro-3-methoxybenzene
CID 146035302
2-(3-bromo-2-ethoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164891291
1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine
CID 83902054
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
4-bromo-5-ethoxy-6-fluoro-1-benzothiophene
CID 130898443
2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene
CID 164894235
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
2-bromo-3-ethoxy-6-fluorophenol
CID 119019688
2-ethoxy-3,4-difluoroaniline
CID 22118017
1-bromo-4-chloro-3-ethoxy-2-methylbenzene
CID 171000252

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-ethoxy-4-fluorobenzene?
The IUPAC name of 1,2-dibromo-3-ethoxy-4-fluorobenzene (CID 118847248) is 1,2-dibromo-3-ethoxy-4-fluorobenzene.
What is the SMILES notation for 1,2-dibromo-3-ethoxy-4-fluorobenzene?
The canonical SMILES for 1,2-dibromo-3-ethoxy-4-fluorobenzene is CCOc1c(F)ccc(Br)c1Br.
What is the InChIKey of 1,2-dibromo-3-ethoxy-4-fluorobenzene?
The InChIKey is XKDSEAYAFNKSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2FO/c1-2-12-8-6(11)4-3-5(9)7(8)10/h3-4H,2H2,1H3.
What are the key properties of 1,2-dibromo-3-ethoxy-4-fluorobenzene?
1,2-dibromo-3-ethoxy-4-fluorobenzene has a molecular weight of 297.95 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-ethoxy-4-fluorobenzene is sourced from PubChem (CID 118847248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).