6-bromo-4-ethoxy-2,3-difluorophenol

C8H7BrF2O2 — CID 84707726

IUPAC6-bromo-4-ethoxy-2,3-difluorophenol
SMILESCCOc1cc(Br)c(O)c(F)c1F
InChIInChI=1S/C8H7BrF2O2/c1-2-13-5-3-4(9)8(12)7(11)6(5)10/h3,12H,2H2,1H3
InChIKeyKMQYXKVHTVMKNN-UHFFFAOYSA-N
MW253.04 g/mol
LogP2.83
Rot. Bonds2

About 6-bromo-4-ethoxy-2,3-difluorophenol

6-bromo-4-ethoxy-2,3-difluorophenol (PubChem CID 84707726) has the molecular formula C8H7BrF2O2 and a molecular weight of 253.04 g/mol. Its IUPAC name is 6-bromo-4-ethoxy-2,3-difluorophenol.

Molecular Properties

Compound Name6-bromo-4-ethoxy-2,3-difluorophenol
PubChem CID84707726
Molecular FormulaC8H7BrF2O2
Molecular Weight253.04 g/mol
Exact Mass251.96
IUPAC Name6-bromo-4-ethoxy-2,3-difluorophenol
SMILESCCOc1cc(Br)c(O)c(F)c1F
InChIInChI=1S/C8H7BrF2O2/c1-2-13-5-3-4(9)8(12)7(11)6(5)10/h3,12H,2H2,1H3
InChIKeyKMQYXKVHTVMKNN-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.04
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-ethoxy-5-fluorophenol
CID 118800387
1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone
CID 171000856
4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
2-bromo-3-ethoxy-6-fluorophenol
CID 119019688
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
2-bromo-4-ethoxy-5-fluorobenzoic acid
CID 126980084
1-bromo-4,5-diethoxy-2-iodobenzene
CID 81479058
2,3-dibromo-1-ethoxy-4,5-difluorobenzene
CID 118813468
4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol
CID 171227057
methyl 6-bromo-3,4-diethoxy-2-fluorobenzoate
CID 88891029
2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
CID 4155437
3-ethoxy-2-fluoro-5-hydroxybenzonitrile
CID 18444762

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethoxy-2,3-difluorophenol?
The IUPAC name of 6-bromo-4-ethoxy-2,3-difluorophenol (CID 84707726) is 6-bromo-4-ethoxy-2,3-difluorophenol.
What is the SMILES notation for 6-bromo-4-ethoxy-2,3-difluorophenol?
The canonical SMILES for 6-bromo-4-ethoxy-2,3-difluorophenol is CCOc1cc(Br)c(O)c(F)c1F.
What is the InChIKey of 6-bromo-4-ethoxy-2,3-difluorophenol?
The InChIKey is KMQYXKVHTVMKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O2/c1-2-13-5-3-4(9)8(12)7(11)6(5)10/h3,12H,2H2,1H3.
What are the key properties of 6-bromo-4-ethoxy-2,3-difluorophenol?
6-bromo-4-ethoxy-2,3-difluorophenol has a molecular weight of 253.04 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethoxy-2,3-difluorophenol is sourced from PubChem (CID 84707726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).