4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C53H75B3Br3F3N2O9 — CID 161141952

IUPAC4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COCCBr.COCCn1ccc2c(B3OC(C)(C)C(C)(C)O3)cc(F)cc21.COCCn1ccc2c(Br)cc(F)cc21.Fc1cc(Br)c2c(c1)CC=C2
InChIInChI=1S/C17H23BFNO3.C12H24B2O4.C11H11BrFNO.C9H6BrF.C3H7BrO.CH4/c1-16(2)17(3,4)23-18(22-16)14-10-12(19)11-15-13(14)6-7-20(15)8-9-21-5;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-15-5-4-14-3-2-9-10(12)6-8(13)7-11(9)14;10-9-5-7(11)4-6-2-1-3-8(6)9;1-5-3-2-4;/h6-7,10-11H,8-9H2,1-5H3;1-8H3;2-3,6-7H,4-5H2,1H3;1,3-5H,2H2;2-3H2,1H3;1H4
InChIKeyUNOFPGWGKWXLOE-UHFFFAOYSA-N
MW1213.33 g/mol
LogP12.99
Rot. Bonds10

About 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161141952) has the molecular formula C53H75B3Br3F3N2O9 and a molecular weight of 1213.33 g/mol. Its IUPAC name is 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID161141952
Molecular FormulaC53H75B3Br3F3N2O9
Molecular Weight1213.33 g/mol
Exact Mass1210.33
IUPAC Name4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COCCBr.COCCn1ccc2c(B3OC(C)(C)C(C)(C)O3)cc(F)cc21.COCCn1ccc2c(Br)cc(F)cc21.Fc1cc(Br)c2c(c1)CC=C2
InChIInChI=1S/C17H23BFNO3.C12H24B2O4.C11H11BrFNO.C9H6BrF.C3H7BrO.CH4/c1-16(2)17(3,4)23-18(22-16)14-10-12(19)11-15-13(14)6-7-20(15)8-9-21-5;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-15-5-4-14-3-2-9-10(12)6-8(13)7-11(9)14;10-9-5-7(11)4-6-2-1-3-8(6)9;1-5-3-2-4;/h6-7,10-11H,8-9H2,1-5H3;1-8H3;2-3,6-7H,4-5H2,1H3;1,3-5H,2H2;2-3H2,1H3;1H4
InChIKeyUNOFPGWGKWXLOE-UHFFFAOYSA-N
XLogP12.99
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.33
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

4-bromo-1-ethyl-6-fluoroindole;4-bromo-6-fluoro-1H-indene;1-ethyl-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane
CID 157397912
6-bromo-1,5-dimethylindole;6-bromo-5-methyl-1H-indene;1,5-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 157455883
4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157708507
6-bromo-1H-indene;6-bromo-1-methylindole;2-(6-bromo-1-methylindol-3-yl)ethanol;methane;2-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-3-yl]ethanol;oxolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157708687
3-(3-Bromophenyl)-1,5-diphenylindole;1,5-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157772712
4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157920032
4-bromo-3-fluoro-1H-indole;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157932892
4-bromo-1-(2,2-difluoroethyl)-6-fluoroindole;4-bromo-6-fluoro-1H-indole;1-(2,2-difluoroethyl)-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;1,1-difluoropropane;methane
CID 158038568
4-bromo-1-ethylsulfonyl-6-fluoroindole;4-bromo-6-fluoro-1H-indene;1-ethylsulfonyl-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane
CID 158488754
6-bromo-1H-indene;6-bromo-1-propan-2-ylindole;1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 158534274
1-(3-Bromophenyl)-3-phenylbenzo[e]indole;methane;3-phenyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[e]indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158846243
4-Bromo-9-methylcarbazole;9-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158986043

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161141952) is 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COCCBr.COCCn1ccc2c(B3OC(C)(C)C(C)(C)O3)cc(F)cc21.COCCn1ccc2c(Br)cc(F)cc21.Fc1cc(Br)c2c(c1)CC=C2.
What is the InChIKey of 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is UNOFPGWGKWXLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BFNO3.C12H24B2O4.C11H11BrFNO.C9H6BrF.C3H7BrO.CH4/c1-16(2)17(3,4)23-18(22-16)14-10-12(19)11-15-13(14)6-7-20(15)8-9-21-5;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-15-5-4-14-3-2-9-10(12)6-8(13)7-11(9)14;10-9-5-7(11)4-6-2-1-3-8(6)9;1-5-3-2-4;/h6-7,10-11H,8-9H2,1-5H3;1-8H3;2-3,6-7H,4-5H2,1H3;1,3-5H,2H2;2-3H2,1H3;1H4.
What are the key properties of 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1213.33 g/mol, XLogP of 12.99, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-1H-indene;4-bromo-6-fluoro-1-(2-methoxyethyl)indole;1-bromo-2-methoxyethane;6-fluoro-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161141952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).