4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

C11H10BrFO2 — CID 122506354

IUPAC4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESFc1ccc(Br)c2c1CCC21OCCO1
InChIInChI=1S/C11H10BrFO2/c12-8-1-2-9(13)7-3-4-11(10(7)8)14-5-6-15-11/h1-2H,3-6H2
InChIKeyQLBAESPFZKUKFM-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.73
Rot. Bonds

About 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 122506354) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID122506354
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Name4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESFc1ccc(Br)c2c1CCC21OCCO1
InChIInChI=1S/C11H10BrFO2/c12-8-1-2-9(13)7-3-4-11(10(7)8)14-5-6-15-11/h1-2H,3-6H2
InChIKeyQLBAESPFZKUKFM-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] with MolForge

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Related Compounds

4-Bromo-1-indanyl acetate
CID 19801183
2-(3-Bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane
CID 11129071
2-(2-Bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 22735928
(4R)-4-(3-bromo-2-fluorophenyl)-2,2-dimethyl-1,3-dioxolane
CID 68449866
6-Bromo-5-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199438
5-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199578
4-(3-Bromo-2-fluorophenyl)-2,2-dimethyl-1,3-dioxolane
CID 77501707
(1aS,6aR)-5-Bromo-3-fluoro-6,6a-dihydro-1aH-1-oxa-cyclopropa[a]indene
CID 89444796
5-bromo-4-fluoro-6,6a-dihydro-1aH-1-oxa-cyclopropa[a]indene
CID 89621411
5-bromo-2-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 89621444
2-[(7-Bromo-2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane
CID 117736860
2-[(7-Bromo-2,2,5-trifluoro-1,3-dihydroinden-1-yl)oxy]oxane
CID 117736928

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 122506354) is 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is Fc1ccc(Br)c2c1CCC21OCCO1.
What is the InChIKey of 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is QLBAESPFZKUKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c12-8-1-2-9(13)7-3-4-11(10(7)8)14-5-6-15-11/h1-2H,3-6H2.
What are the key properties of 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] has a molecular weight of 273.10 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 122506354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).