7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene

C12H14BrFO2 — CID 166755331

IUPAC7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
SMILESCOC1(OC)c2c(C)ccc(Br)c2CC1F
InChIInChI=1S/C12H14BrFO2/c1-7-4-5-9(13)8-6-10(14)12(15-2,16-3)11(7)8/h4-5,10H,6H2,1-3H3
InChIKeyOBMXCRMHUIUXIW-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.10
Rot. Bonds2

About 7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene

7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene (PubChem CID 166755331) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene.

Molecular Properties

Compound Name7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
PubChem CID166755331
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
SMILESCOC1(OC)c2c(C)ccc(Br)c2CC1F
InChIInChI=1S/C12H14BrFO2/c1-7-4-5-9(13)8-6-10(14)12(15-2,16-3)11(7)8/h4-5,10H,6H2,1-3H3
InChIKeyOBMXCRMHUIUXIW-UHFFFAOYSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
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
1-Bromo-2-[1,1-difluoro-2-(methoxymethoxy)propan-2-yl]-3-methylbenzene
CID 89587171
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
(1R)-4-bromo-1-(1-methoxyethoxy)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 132127347
7-Fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
CID 134259072
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
5-bromo-7-methyl-1-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene
CID 149743122

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene?
The IUPAC name of 7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene (CID 166755331) is 7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene.
What is the SMILES notation for 7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene?
The canonical SMILES for 7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene is COC1(OC)c2c(C)ccc(Br)c2CC1F.
What is the InChIKey of 7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene?
The InChIKey is OBMXCRMHUIUXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c1-7-4-5-9(13)8-6-10(14)12(15-2,16-3)11(7)8/h4-5,10H,6H2,1-3H3.
What are the key properties of 7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene?
7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene has a molecular weight of 289.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene is sourced from PubChem (CID 166755331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).