7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole

C17H16FNO — CID 104545426

IUPAC7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
SMILESFC(c1ccc2c(c1)CCO2)c1cccc2c1NCC2
InChIInChI=1S/C17H16FNO/c18-16(13-4-5-15-12(10-13)7-9-20-15)14-3-1-2-11-6-8-19-17(11)14/h1-5,10,16,19H,6-9H2
InChIKeyFSXSYDWFJYZVJQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.65
Rot. Bonds2

About 7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole

7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole (PubChem CID 104545426) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
PubChem CID104545426
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
SMILESFC(c1ccc2c(c1)CCO2)c1cccc2c1NCC2
InChIInChI=1S/C17H16FNO/c18-16(13-4-5-15-12(10-13)7-9-20-15)14-3-1-2-11-6-8-19-17(11)14/h1-5,10,16,19H,6-9H2
InChIKeyFSXSYDWFJYZVJQ-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole
CID 113394357
7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 102648261
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
5-[bromo-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81477363
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine
CID 104545402
[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine
CID 105333920
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215845
5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430264
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65041772
1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62649347
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171

Frequently Asked Questions

What is the IUPAC name of 7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole (CID 104545426) is 7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole is FC(c1ccc2c(c1)CCO2)c1cccc2c1NCC2.
What is the InChIKey of 7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole?
The InChIKey is FSXSYDWFJYZVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-16(13-4-5-15-12(10-13)7-9-20-15)14-3-1-2-11-6-8-19-17(11)14/h1-5,10,16,19H,6-9H2.
What are the key properties of 7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole?
7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole has a molecular weight of 269.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 104545426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).