1-[(4-bromophenyl)methyl]-4-fluoroindole

C15H11BrFN — CID 82793563

IUPAC1-[(4-bromophenyl)methyl]-4-fluoroindole
SMILESFc1cccc2c1ccn2Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrFN/c16-12-6-4-11(5-7-12)10-18-9-8-13-14(17)2-1-3-15(13)18/h1-9H,10H2
InChIKeyNGFDTBJFQIBRLR-UHFFFAOYSA-N
MW304.16 g/mol
LogP4.59
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-4-fluoroindole

1-[(4-bromophenyl)methyl]-4-fluoroindole (PubChem CID 82793563) has the molecular formula C15H11BrFN and a molecular weight of 304.16 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-fluoroindole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-fluoroindole
PubChem CID82793563
Molecular FormulaC15H11BrFN
Molecular Weight304.16 g/mol
Exact Mass303.01
IUPAC Name1-[(4-bromophenyl)methyl]-4-fluoroindole
SMILESFc1cccc2c1ccn2Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrFN/c16-12-6-4-11(5-7-12)10-18-9-8-13-14(17)2-1-3-15(13)18/h1-9H,10H2
InChIKeyNGFDTBJFQIBRLR-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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-fluoroindole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-fluoroindole (CID 82793563) is 1-[(4-bromophenyl)methyl]-4-fluoroindole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-fluoroindole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-fluoroindole is Fc1cccc2c1ccn2Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-fluoroindole?
The InChIKey is NGFDTBJFQIBRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN/c16-12-6-4-11(5-7-12)10-18-9-8-13-14(17)2-1-3-15(13)18/h1-9H,10H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-fluoroindole?
1-[(4-bromophenyl)methyl]-4-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-[(4-bromophenyl)methyl]-4-fluoroindole is sourced from PubChem (CID 82793563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).