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

C11H9Br2FO2 — CID 121269845

IUPAC1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESFc1ccc(Br)c2c1C(Br)CC21OCCO1
InChIInChI=1S/C11H9Br2FO2/c12-6-1-2-8(14)9-7(13)5-11(10(6)9)15-3-4-16-11/h1-2,7H,3-5H2
InChIKeyXGPDTQMUYXDXPV-UHFFFAOYSA-N
MW352.00 g/mol
LogP3.63
Rot. Bonds

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

1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 121269845) has the molecular formula C11H9Br2FO2 and a molecular weight of 352.00 g/mol. Its IUPAC name is 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID121269845
Molecular FormulaC11H9Br2FO2
Molecular Weight352.00 g/mol
Exact Mass349.90
IUPAC Name1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESFc1ccc(Br)c2c1C(Br)CC21OCCO1
InChIInChI=1S/C11H9Br2FO2/c12-6-1-2-8(14)9-7(13)5-11(10(6)9)15-3-4-16-11/h1-2,7H,3-5H2
InChIKeyXGPDTQMUYXDXPV-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.00
LogP ≤ 53.63
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

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-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile
CID 117942150
4-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 122506354
2-(3-Bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane
CID 135277012
4-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
CID 141436563
1,4-Dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
CID 141436652
4-Bromo-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 171568072
1,7-Dibromo-4-(trifluoromethylsulfanyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 178583998
2',7'-Dibromospiro[1,3-dioxolane-2,9'-fluorene]
CID 69294899
2',3',3'-Tribromo-2',3'-dihydrospiro[1,3-dioxolane-2,1'-indene]
CID 129881004
4-Bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]
CID 21073391

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 121269845) is 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is Fc1ccc(Br)c2c1C(Br)CC21OCCO1.
What is the InChIKey of 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is XGPDTQMUYXDXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2FO2/c12-6-1-2-8(14)9-7(13)5-11(10(6)9)15-3-4-16-11/h1-2,7H,3-5H2.
What are the key properties of 1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
1,4-dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] has a molecular weight of 352.00 g/mol, XLogP of 3.63, 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-dioxolane] is sourced from PubChem (CID 121269845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).