1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol

C12H11FO2 — CID 114727304

IUPAC1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol
SMILESC=CCC(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H11FO2/c1-2-3-10(14)12-7-8-6-9(13)4-5-11(8)15-12/h2,4-7,10,14H,1,3H2
InChIKeyDZSLJMLMPQDWOG-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.18
Rot. Bonds3

About 1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol

1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol (PubChem CID 114727304) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol
PubChem CID114727304
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol
SMILESC=CCC(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H11FO2/c1-2-3-10(14)12-7-8-6-9(13)4-5-11(8)15-12/h2,4-7,10,14H,1,3H2
InChIKeyDZSLJMLMPQDWOG-UHFFFAOYSA-N
XLogP3.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
CID 114726918
1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
CID 114731017
3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
CID 114727140
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-fluorophenyl)ethanol
CID 114726361
1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol
CID 114726295
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-en-1-ol
CID 105081653
4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol
CID 105129637
1-(2,4-difluorophenyl)but-3-en-1-ol
CID 18924035
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 94420605

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol (CID 114727304) is 1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol is C=CCC(O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol?
The InChIKey is DZSLJMLMPQDWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c1-2-3-10(14)12-7-8-6-9(13)4-5-11(8)15-12/h2,4-7,10,14H,1,3H2.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol?
1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol has a molecular weight of 206.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol is sourced from PubChem (CID 114727304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).