1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole

C17H13BrFNO — CID 116619794

IUPAC1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole
SMILESFc1ccc2ccn(Cc3cc(Br)cc4c3OCC4)c2c1
InChIInChI=1S/C17H13BrFNO/c18-14-7-12-4-6-21-17(12)13(8-14)10-20-5-3-11-1-2-15(19)9-16(11)20/h1-3,5,7-9H,4,6,10H2
InChIKeyMCCMDHBUVMHDTK-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.53
Rot. Bonds2

About 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole

1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole (PubChem CID 116619794) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole.

Molecular Properties

Compound Name1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole
PubChem CID116619794
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole
SMILESFc1ccc2ccn(Cc3cc(Br)cc4c3OCC4)c2c1
InChIInChI=1S/C17H13BrFNO/c18-14-7-12-4-6-21-17(12)13(8-14)10-20-5-3-11-1-2-15(19)9-16(11)20/h1-3,5,7-9H,4,6,10H2
InChIKeyMCCMDHBUVMHDTK-UHFFFAOYSA-N
XLogP4.53
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
CID 116619923
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)imidazole
CID 113403434
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 104702272
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrole-2,5-dione
CID 104702958
4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine-3,5-dione
CID 113443048
4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole
CID 116626107
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorobenzaldehyde
CID 107697879
3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5,6-dichloropyrimidin-4-one
CID 114583050
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
2-[(6-fluoroindol-1-yl)methyl]benzamide
CID 116619840

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole?
The IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole (CID 116619794) is 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole.
What is the SMILES notation for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole?
The canonical SMILES for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole is Fc1ccc2ccn(Cc3cc(Br)cc4c3OCC4)c2c1.
What is the InChIKey of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole?
The InChIKey is MCCMDHBUVMHDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c18-14-7-12-4-6-21-17(12)13(8-14)10-20-5-3-11-1-2-15(19)9-16(11)20/h1-3,5,7-9H,4,6,10H2.
What are the key properties of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole?
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole has a molecular weight of 346.20 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole is sourced from PubChem (CID 116619794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).