methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate

C11H10BrFO2 — CID 102098459

IUPACmethyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(F)CCc2c(Br)cccc21
InChIInChI=1S/C11H10BrFO2/c1-15-10(14)11(13)6-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3
InChIKeyMTUVGYTUVGDYDF-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.73
Rot. Bonds1

About methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate

methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate (PubChem CID 102098459) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate
PubChem CID102098459
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Namemethyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(F)CCc2c(Br)cccc21
InChIInChI=1S/C11H10BrFO2/c1-15-10(14)11(13)6-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3
InChIKeyMTUVGYTUVGDYDF-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
CID 83913602
methyl 5-bromo-2-methyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 157023406
methyl 5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylate
CID 142429419
methyl 7-bromo-2-hydroxy-3-oxo-1H-indene-2-carboxylate
CID 141436908
methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193490
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate
CID 83066492
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057136
(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728034
dimethyl tetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-1,8-dicarboxylate
CID 102099332
methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate
CID 83066676
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate (CID 102098459) is methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate is COC(=O)C1(F)CCc2c(Br)cccc21.
What is the InChIKey of methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate?
The InChIKey is MTUVGYTUVGDYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c1-15-10(14)11(13)6-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3.
What are the key properties of methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate?
methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate has a molecular weight of 273.10 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 102098459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).