1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol

C15H16FNO2 — CID 79102300

IUPAC1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(CC2Cc3cc(F)ccc3O2)c1
InChIInChI=1S/C15H16FNO2/c1-10(18)11-4-5-17(8-11)9-14-7-12-6-13(16)2-3-15(12)19-14/h2-6,8,10,14,18H,7,9H2,1H3
InChIKeyAYFOXFUVUGJGHK-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.68
Rot. Bonds3

About 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol

1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol (PubChem CID 79102300) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol
PubChem CID79102300
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(CC2Cc3cc(F)ccc3O2)c1
InChIInChI=1S/C15H16FNO2/c1-10(18)11-4-5-17(8-11)9-14-7-12-6-13(16)2-3-15(12)19-14/h2-6,8,10,14,18H,7,9H2,1H3
InChIKeyAYFOXFUVUGJGHK-UHFFFAOYSA-N
XLogP2.68
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol?
The IUPAC name of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol (CID 79102300) is 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol?
The canonical SMILES for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol is CC(O)c1ccn(CC2Cc3cc(F)ccc3O2)c1.
What is the InChIKey of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol?
The InChIKey is AYFOXFUVUGJGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(18)11-4-5-17(8-11)9-14-7-12-6-13(16)2-3-15(12)19-14/h2-6,8,10,14,18H,7,9H2,1H3.
What are the key properties of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol?
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol has a molecular weight of 261.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol is sourced from PubChem (CID 79102300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).