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

C11H8BrFO2 — CID 141436563

IUPAC4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
SMILESFc1ccc(Br)c2c1CCC21OC=CO1
InChIInChI=1S/C11H8BrFO2/c12-8-1-2-9(13)7-3-4-11(10(7)8)14-5-6-15-11/h1-2,5-6H,3-4H2
InChIKeyUWPXPLAFXHRVNT-UHFFFAOYSA-N
MW271.08 g/mol
LogP3.21
Rot. Bonds

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

4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole] (PubChem CID 141436563) has the molecular formula C11H8BrFO2 and a molecular weight of 271.08 g/mol. Its IUPAC name is 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole].

Molecular Properties

Compound Name4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
PubChem CID141436563
Molecular FormulaC11H8BrFO2
Molecular Weight271.08 g/mol
Exact Mass269.97
IUPAC Name4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
SMILESFc1ccc(Br)c2c1CCC21OC=CO1
InChIInChI=1S/C11H8BrFO2/c12-8-1-2-9(13)7-3-4-11(10(7)8)14-5-6-15-11/h1-2,5-6H,3-4H2
InChIKeyUWPXPLAFXHRVNT-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

4-Bromo-1-indanyl acetate
CID 19801183
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
(S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol
CID 86697104
(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
4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol
CID 89621515
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
4-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile
CID 117942150
1,4-Dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 121269845

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
The IUPAC name of 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole] (CID 141436563) is 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole].
What is the SMILES notation for 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
The canonical SMILES for 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole] is Fc1ccc(Br)c2c1CCC21OC=CO1.
What is the InChIKey of 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
The InChIKey is UWPXPLAFXHRVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFO2/c12-8-1-2-9(13)7-3-4-11(10(7)8)14-5-6-15-11/h1-2,5-6H,3-4H2.
What are the key properties of 4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]?
4-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole] has a molecular weight of 271.08 g/mol, XLogP of 3.21, 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-dioxole] is sourced from PubChem (CID 141436563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).