4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole

C16H12FNO — CID 114731967

IUPAC4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole
SMILESFc1cccc2cc(-c3cccc4c3CCN4)oc12
InChIInChI=1S/C16H12FNO/c17-13-5-1-3-10-9-15(19-16(10)13)12-4-2-6-14-11(12)7-8-18-14/h1-6,9,18H,7-8H2
InChIKeyLWWPRBLQKDMSNV-UHFFFAOYSA-N
MW253.28 g/mol
LogP4.21
Rot. Bonds1

About 4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole

4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole (PubChem CID 114731967) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole
PubChem CID114731967
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole
SMILESFc1cccc2cc(-c3cccc4c3CCN4)oc12
InChIInChI=1S/C16H12FNO/c17-13-5-1-3-10-9-15(19-16(10)13)12-4-2-6-14-11(12)7-8-18-14/h1-6,9,18H,7-8H2
InChIKeyLWWPRBLQKDMSNV-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole (CID 114731967) is 4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole is Fc1cccc2cc(-c3cccc4c3CCN4)oc12.
What is the InChIKey of 4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is LWWPRBLQKDMSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-13-5-1-3-10-9-15(19-16(10)13)12-4-2-6-14-11(12)7-8-18-14/h1-6,9,18H,7-8H2.
What are the key properties of 4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole?
4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 253.28 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 114731967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).