2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol

C12H14FNO2 — CID 114726918

IUPAC2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
SMILESCN(C)CC(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H14FNO2/c1-14(2)7-10(15)12-6-8-5-9(13)3-4-11(8)16-12/h3-6,10,15H,7H2,1-2H3
InChIKeyKWJFIWLWQHIALY-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.17
Rot. Bonds3

About 2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol

2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol (PubChem CID 114726918) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
PubChem CID114726918
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
SMILESCN(C)CC(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H14FNO2/c1-14(2)7-10(15)12-6-8-5-9(13)3-4-11(8)16-12/h3-6,10,15H,7H2,1-2H3
InChIKeyKWJFIWLWQHIALY-UHFFFAOYSA-N
XLogP2.17
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
CID 114727140
1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol
CID 114727304
1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
CID 111579203
4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol
CID 105129637
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-fluorophenyl)ethanol
CID 114726361
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol
CID 114726295
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 105046223
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol (CID 114726918) is 2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol is CN(C)CC(O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol?
The InChIKey is KWJFIWLWQHIALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14(2)7-10(15)12-6-8-5-9(13)3-4-11(8)16-12/h3-6,10,15H,7H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol?
2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol has a molecular weight of 223.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 114726918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).