6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole

C15H10BrF2N — CID 90408774

IUPAC6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole
SMILESFc1cccc(Cn2ccc3cc(F)c(Br)cc32)c1
InChIInChI=1S/C15H10BrF2N/c16-13-8-15-11(7-14(13)18)4-5-19(15)9-10-2-1-3-12(17)6-10/h1-8H,9H2
InChIKeyRHFLEBLWLRMZTR-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.73
Rot. Bonds2

About 6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole

6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole (PubChem CID 90408774) has the molecular formula C15H10BrF2N and a molecular weight of 322.15 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole
PubChem CID90408774
Molecular FormulaC15H10BrF2N
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole
SMILESFc1cccc(Cn2ccc3cc(F)c(Br)cc32)c1
InChIInChI=1S/C15H10BrF2N/c16-13-8-15-11(7-14(13)18)4-5-19(15)9-10-2-1-3-12(17)6-10/h1-8H,9H2
InChIKeyRHFLEBLWLRMZTR-UHFFFAOYSA-N
XLogP4.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole?
The IUPAC name of 6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole (CID 90408774) is 6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole.
What is the SMILES notation for 6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole?
The canonical SMILES for 6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole is Fc1cccc(Cn2ccc3cc(F)c(Br)cc32)c1.
What is the InChIKey of 6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole?
The InChIKey is RHFLEBLWLRMZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N/c16-13-8-15-11(7-14(13)18)4-5-19(15)9-10-2-1-3-12(17)6-10/h1-8H,9H2.
What are the key properties of 6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole?
6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole has a molecular weight of 322.15 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole is sourced from PubChem (CID 90408774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).