1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]

C11H7Br2FO2 — CID 141436652

IUPAC1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
SMILESFc1ccc(Br)c2c1C(Br)CC21OC=CO1
InChIInChI=1S/C11H7Br2FO2/c12-6-1-2-8(14)9-7(13)5-11(10(6)9)15-3-4-16-11/h1-4,7H,5H2
InChIKeyLMIPOCYEIIZPPH-UHFFFAOYSA-N
MW349.98 g/mol
LogP4.10
Rot. Bonds

About 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]

1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole] (PubChem CID 141436652) has the molecular formula C11H7Br2FO2 and a molecular weight of 349.98 g/mol. Its IUPAC name is 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole].

Molecular Properties

Compound Name1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
PubChem CID141436652
Molecular FormulaC11H7Br2FO2
Molecular Weight349.98 g/mol
Exact Mass347.88
IUPAC Name1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
SMILESFc1ccc(Br)c2c1C(Br)CC21OC=CO1
InChIInChI=1S/C11H7Br2FO2/c12-6-1-2-8(14)9-7(13)5-11(10(6)9)15-3-4-16-11/h1-4,7H,5H2
InChIKeyLMIPOCYEIIZPPH-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.98
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 89621444
1,4-Dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 121269845
4-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 122506354
4-bromo-7-fluoro-1-penta-2,4-dien-2-yloxy-2,3-dihydro-1H-indene
CID 123336896
4-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]-1-carbonitrile
CID 141436552
4-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
CID 141436563
7-Bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
CID 166755331
4-Bromo-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 171568072
6-Bromospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
CID 178740697
4-Bromo-indan-1-one 1,2-ethanediol ketal
CID 45158898
4'-Bromo-2',3'-dihydrospiro[1,3-dioxane-2,1'-indene]
CID 45158899

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
The IUPAC name of 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole] (CID 141436652) is 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole].
What is the SMILES notation for 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
The canonical SMILES for 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole] is Fc1ccc(Br)c2c1C(Br)CC21OC=CO1.
What is the InChIKey of 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
The InChIKey is LMIPOCYEIIZPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FO2/c12-6-1-2-8(14)9-7(13)5-11(10(6)9)15-3-4-16-11/h1-4,7H,5H2.
What are the key properties of 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole] has a molecular weight of 349.98 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole] is sourced from PubChem (CID 141436652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).