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

C11H10BrFO2 — CID 69199578

IUPAC5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESFc1cc(Br)cc2c1CCC21OCCO1
InChIInChI=1S/C11H10BrFO2/c12-7-5-9-8(10(13)6-7)1-2-11(9)14-3-4-15-11/h5-6H,1-4H2
InChIKeyHMWRCZJUDJZYTI-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.73
Rot. Bonds

About 5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 69199578) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is 5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID69199578
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Name5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESFc1cc(Br)cc2c1CCC21OCCO1
InChIInChI=1S/C11H10BrFO2/c12-7-5-9-8(10(13)6-7)1-2-11(9)14-3-4-15-11/h5-6H,1-4H2
InChIKeyHMWRCZJUDJZYTI-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of 5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 69199578) is 5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for 5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for 5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is Fc1cc(Br)cc2c1CCC21OCCO1.
What is the InChIKey of 5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is HMWRCZJUDJZYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c12-7-5-9-8(10(13)6-7)1-2-11(9)14-3-4-15-11/h5-6H,1-4H2.
What are the key properties of 5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
5-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 5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 69199578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).