1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole

C15H10BrF2N — CID 116619923

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
SMILESFc1ccc2ccn(Cc3cc(Br)ccc3F)c2c1
InChIInChI=1S/C15H10BrF2N/c16-12-2-4-14(18)11(7-12)9-19-6-5-10-1-3-13(17)8-15(10)19/h1-8H,9H2
InChIKeyDSMUVBVKUZJQHQ-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.73
Rot. Bonds2

About 1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole

1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole (PubChem CID 116619923) has the molecular formula C15H10BrF2N and a molecular weight of 322.15 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
PubChem CID116619923
Molecular FormulaC15H10BrF2N
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
SMILESFc1ccc2ccn(Cc3cc(Br)ccc3F)c2c1
InChIInChI=1S/C15H10BrF2N/c16-12-2-4-14(18)11(7-12)9-19-6-5-10-1-3-13(17)8-15(10)19/h1-8H,9H2
InChIKeyDSMUVBVKUZJQHQ-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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Related Compounds

1-[(2,5-difluorophenyl)methyl]-6-[1-[(2,5-difluorophenyl)methyl]indol-6-yl]indole
CID 56851726
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole
CID 106270507
1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
CID 43438690
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole
CID 116619794
5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620287
5-bromo-2-[(5-fluoroindol-1-yl)methyl]aniline
CID 114380593
cobalt;1-ethyl-6-fluoroindole
CID 58657570
1-[(5-bromo-2-fluorophenyl)methyl]-7-chloroindole
CID 103475026
1-[(4-bromo-2-fluorophenyl)methyl]-6-nitroindole
CID 116620983
4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide
CID 116621806
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole (CID 116619923) is 1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole is Fc1ccc2ccn(Cc3cc(Br)ccc3F)c2c1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole?
The InChIKey is DSMUVBVKUZJQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N/c16-12-2-4-14(18)11(7-12)9-19-6-5-10-1-3-13(17)8-15(10)19/h1-8H,9H2.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole?
1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole 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 1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole is sourced from PubChem (CID 116619923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).