2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol

C11H11FO2 — CID 117284401

IUPAC2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol
SMILESCC(CO)c1cc(F)cc2ccoc12
InChIInChI=1S/C11H11FO2/c1-7(6-13)10-5-9(12)4-8-2-3-14-11(8)10/h2-5,7,13H,6H2,1H3
InChIKeyXSOPSZMXNNGSRF-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.67
Rot. Bonds2

About 2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol

2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol (PubChem CID 117284401) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol
PubChem CID117284401
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol
SMILESCC(CO)c1cc(F)cc2ccoc12
InChIInChI=1S/C11H11FO2/c1-7(6-13)10-5-9(12)4-8-2-3-14-11(8)10/h2-5,7,13H,6H2,1H3
InChIKeyXSOPSZMXNNGSRF-UHFFFAOYSA-N
XLogP2.67
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol?
The IUPAC name of 2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol (CID 117284401) is 2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol.
What is the SMILES notation for 2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol?
The canonical SMILES for 2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol is CC(CO)c1cc(F)cc2ccoc12.
What is the InChIKey of 2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol?
The InChIKey is XSOPSZMXNNGSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-7(6-13)10-5-9(12)4-8-2-3-14-11(8)10/h2-5,7,13H,6H2,1H3.
What are the key properties of 2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol?
2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol has a molecular weight of 194.21 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol is sourced from PubChem (CID 117284401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).