5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole

C15H10BrF2NO — CID 167505847

IUPAC5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole
SMILESCc1c(Oc2ccc(F)c(Br)c2)c(F)cc2[nH]ccc12
InChIInChI=1S/C15H10BrF2NO/c1-8-10-4-5-19-14(10)7-13(18)15(8)20-9-2-3-12(17)11(16)6-9/h2-7,19H,1H3
InChIKeySNXPDGIRCCTVDT-UHFFFAOYSA-N
MW338.15 g/mol
LogP5.31
Rot. Bonds2

About 5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole

5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole (PubChem CID 167505847) has the molecular formula C15H10BrF2NO and a molecular weight of 338.15 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole
PubChem CID167505847
Molecular FormulaC15H10BrF2NO
Molecular Weight338.15 g/mol
Exact Mass336.99
IUPAC Name5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole
SMILESCc1c(Oc2ccc(F)c(Br)c2)c(F)cc2[nH]ccc12
InChIInChI=1S/C15H10BrF2NO/c1-8-10-4-5-19-14(10)7-13(18)15(8)20-9-2-3-12(17)11(16)6-9/h2-7,19H,1H3
InChIKeySNXPDGIRCCTVDT-UHFFFAOYSA-N
XLogP5.31
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.15
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate
CID 167504860
3-[3-[[3-[2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]phenyl]-1H-1,2,4-triazol-5-yl]methyl]phenyl]propanoic acid
CID 167504997
5-fluoro-4-methyl-1H-indole
CID 19848907
3-[3-[[2-[2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]methyl]phenyl]propanal
CID 167504973
ethane;5-fluoro-4-methyl-1H-indole
CID 142062842
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
methyl 6-fluoro-5-(4-fluoro-3-isocyanophenoxy)-1H-indole-4-carboxylate
CID 176798897
(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 83235043
1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone
CID 171078931
2-fluoro-5-[[6-fluoro-4-(2-hydroxyethyl)-1H-indol-5-yl]oxy]benzonitrile
CID 171078652
5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide
CID 171077936
2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]benzonitrile
CID 171078040

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole?
The IUPAC name of 5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole (CID 167505847) is 5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole.
What is the SMILES notation for 5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole?
The canonical SMILES for 5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole is Cc1c(Oc2ccc(F)c(Br)c2)c(F)cc2[nH]ccc12.
What is the InChIKey of 5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole?
The InChIKey is SNXPDGIRCCTVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO/c1-8-10-4-5-19-14(10)7-13(18)15(8)20-9-2-3-12(17)11(16)6-9/h2-7,19H,1H3.
What are the key properties of 5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole?
5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole has a molecular weight of 338.15 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole is sourced from PubChem (CID 167505847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).