(2,4-dibromophenyl) carbonofluoridate

C7H3Br2FO2 — CID 165349274

IUPAC(2,4-dibromophenyl) carbonofluoridate
SMILESO=C(F)Oc1ccc(Br)cc1Br
InChIInChI=1S/C7H3Br2FO2/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3H
InChIKeyKANQNHJPALYQHN-UHFFFAOYSA-N
MW297.91 g/mol
LogP3.68
Rot. Bonds1

About (2,4-dibromophenyl) carbonofluoridate

(2,4-dibromophenyl) carbonofluoridate (PubChem CID 165349274) has the molecular formula C7H3Br2FO2 and a molecular weight of 297.91 g/mol. Its IUPAC name is (2,4-dibromophenyl) carbonofluoridate.

Molecular Properties

Compound Name(2,4-dibromophenyl) carbonofluoridate
PubChem CID165349274
Molecular FormulaC7H3Br2FO2
Molecular Weight297.91 g/mol
Exact Mass295.85
IUPAC Name(2,4-dibromophenyl) carbonofluoridate
SMILESO=C(F)Oc1ccc(Br)cc1Br
InChIInChI=1S/C7H3Br2FO2/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3H
InChIKeyKANQNHJPALYQHN-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.91
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-dibromophenyl) carbonate
CID 54492294
(2,4-dibromophenyl) 2-hydroxyacetate
CID 130668337
(2,4-dibromophenyl) 2-fluorobenzoate
CID 23011822
(2,4-dibromophenyl) cyclopropanecarboxylate
CID 836257
(2,4-dibromophenyl) N-ethenylcarbamate
CID 71409205
(2,4-dibromophenyl) 4-benzoylbenzoate
CID 2316078
1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
(2,4-dibromophenyl) 4-nitrobenzoate
CID 1378798
2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
CID 79511667
5-bromo-2-[2-(2,4-dibromophenoxy)acetyl]oxybenzoic acid
CID 54854409
(4-bromo-2-fluorophenyl) prop-2-enoate
CID 174643250
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl) carbonofluoridate?
The IUPAC name of (2,4-dibromophenyl) carbonofluoridate (CID 165349274) is (2,4-dibromophenyl) carbonofluoridate.
What is the SMILES notation for (2,4-dibromophenyl) carbonofluoridate?
The canonical SMILES for (2,4-dibromophenyl) carbonofluoridate is O=C(F)Oc1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl) carbonofluoridate?
The InChIKey is KANQNHJPALYQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2FO2/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3H.
What are the key properties of (2,4-dibromophenyl) carbonofluoridate?
(2,4-dibromophenyl) carbonofluoridate has a molecular weight of 297.91 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl) carbonofluoridate is sourced from PubChem (CID 165349274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).