2-bromo-4-fluorophenolate

C6H3BrFO- — CID 154609480

IUPAC2-bromo-4-fluorophenolate
SMILES[O-]c1ccc(F)cc1Br
InChIInChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H/p-1
InChIKeyMEYRABVEYCFHHB-UHFFFAOYSA-M
MW189.99 g/mol
LogP1.66
Rot. Bonds

About 2-bromo-4-fluorophenolate

2-bromo-4-fluorophenolate (PubChem CID 154609480) has the molecular formula C6H3BrFO- and a molecular weight of 189.99 g/mol. Its IUPAC name is 2-bromo-4-fluorophenolate.

Molecular Properties

Compound Name2-bromo-4-fluorophenolate
PubChem CID154609480
Molecular FormulaC6H3BrFO-
Molecular Weight189.99 g/mol
Exact Mass188.94
IUPAC Name2-bromo-4-fluorophenolate
SMILES[O-]c1ccc(F)cc1Br
InChIInChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H/p-1
InChIKeyMEYRABVEYCFHHB-UHFFFAOYSA-M
XLogP1.66
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.99
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluorophenolate?
The IUPAC name of 2-bromo-4-fluorophenolate (CID 154609480) is 2-bromo-4-fluorophenolate.
What is the SMILES notation for 2-bromo-4-fluorophenolate?
The canonical SMILES for 2-bromo-4-fluorophenolate is [O-]c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluorophenolate?
The InChIKey is MEYRABVEYCFHHB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H/p-1.
What are the key properties of 2-bromo-4-fluorophenolate?
2-bromo-4-fluorophenolate has a molecular weight of 189.99 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluorophenolate is sourced from PubChem (CID 154609480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).