1-benzyl-4-bromo-6-fluoroindole

C15H11BrFN — CID 174577859

IUPAC1-benzyl-4-bromo-6-fluoroindole
SMILESFc1cc(Br)c2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C15H11BrFN/c16-14-8-12(17)9-15-13(14)6-7-18(15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyVRDFMDMSAIVBFZ-UHFFFAOYSA-N
MW304.16 g/mol
LogP4.59
Rot. Bonds2

About 1-benzyl-4-bromo-6-fluoroindole

1-benzyl-4-bromo-6-fluoroindole (PubChem CID 174577859) has the molecular formula C15H11BrFN and a molecular weight of 304.16 g/mol. Its IUPAC name is 1-benzyl-4-bromo-6-fluoroindole.

Molecular Properties

Compound Name1-benzyl-4-bromo-6-fluoroindole
PubChem CID174577859
Molecular FormulaC15H11BrFN
Molecular Weight304.16 g/mol
Exact Mass303.01
IUPAC Name1-benzyl-4-bromo-6-fluoroindole
SMILESFc1cc(Br)c2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C15H11BrFN/c16-14-8-12(17)9-15-13(14)6-7-18(15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyVRDFMDMSAIVBFZ-UHFFFAOYSA-N
XLogP4.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-6-fluoro-4-phenylmethoxyindole
CID 141202922
4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole
CID 116625940
4-bromo-1-[(3-chlorophenyl)methyl]indole
CID 116626137
4-[(4-bromo-6-phenoxyindol-1-yl)methyl]benzoic acid
CID 135358619
4-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116625944
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
1-[(4-bromophenyl)methyl]-4-fluoroindole
CID 82793563
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
(1-benzyl-6-bromoindol-5-yl)methoxyphosphane
CID 59488780
1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine
CID 154386319
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-bromo-6-fluoroindole?
The IUPAC name of 1-benzyl-4-bromo-6-fluoroindole (CID 174577859) is 1-benzyl-4-bromo-6-fluoroindole.
What is the SMILES notation for 1-benzyl-4-bromo-6-fluoroindole?
The canonical SMILES for 1-benzyl-4-bromo-6-fluoroindole is Fc1cc(Br)c2ccn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-4-bromo-6-fluoroindole?
The InChIKey is VRDFMDMSAIVBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN/c16-14-8-12(17)9-15-13(14)6-7-18(15)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-benzyl-4-bromo-6-fluoroindole?
1-benzyl-4-bromo-6-fluoroindole has a molecular weight of 304.16 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-bromo-6-fluoroindole is sourced from PubChem (CID 174577859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).