1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole

C15H9BrF3N — CID 106270507

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole
SMILESFc1ccc2ccn(Cc3c(F)ccc(Br)c3F)c2c1
InChIInChI=1S/C15H9BrF3N/c16-12-3-4-13(18)11(15(12)19)8-20-6-5-9-1-2-10(17)7-14(9)20/h1-7H,8H2
InChIKeyBPPNZIHIVRIKGB-UHFFFAOYSA-N
MW340.14 g/mol
LogP4.87
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole

1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole (PubChem CID 106270507) has the molecular formula C15H9BrF3N and a molecular weight of 340.14 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole
PubChem CID106270507
Molecular FormulaC15H9BrF3N
Molecular Weight340.14 g/mol
Exact Mass338.99
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole
SMILESFc1ccc2ccn(Cc3c(F)ccc(Br)c3F)c2c1
InChIInChI=1S/C15H9BrF3N/c16-12-3-4-13(18)11(15(12)19)8-20-6-5-9-1-2-10(17)7-14(9)20/h1-7H,8H2
InChIKeyBPPNZIHIVRIKGB-UHFFFAOYSA-N
XLogP4.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
CID 116619923
1-[(3-bromo-2,6-difluorophenyl)methyl]indole-5-carbonitrile
CID 106266361
cobalt;1-ethyl-6-fluoroindole
CID 58657570
1-[(2,3,6-trifluorophenyl)methyl]indole
CID 22256789
1-[(2,5-difluorophenyl)methyl]-6-[1-[(2,5-difluorophenyl)methyl]indol-6-yl]indole
CID 56851726
[1-[(3-bromo-2,6-difluorophenyl)methyl]indol-4-yl]methanamine
CID 106265006
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
CID 116620438
2-(6-fluoroindol-1-yl)acetaldehyde
CID 62025779
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 106269290

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole (CID 106270507) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole is Fc1ccc2ccn(Cc3c(F)ccc(Br)c3F)c2c1.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole?
The InChIKey is BPPNZIHIVRIKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N/c16-12-3-4-13(18)11(15(12)19)8-20-6-5-9-1-2-10(17)7-14(9)20/h1-7H,8H2.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole?
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole has a molecular weight of 340.14 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole is sourced from PubChem (CID 106270507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).