1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol

C11H11F2NO2 — CID 117326258

IUPAC1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(F)cc(F)c2occc12
InChIInChI=1S/C11H11F2NO2/c1-14-5-9(15)10-6-2-3-16-11(6)8(13)4-7(10)12/h2-4,9,14-15H,5H2,1H3
InChIKeyPXPFYCKZWHBRFC-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.96
Rot. Bonds3

About 1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol

1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol (PubChem CID 117326258) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol
PubChem CID117326258
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(F)cc(F)c2occc12
InChIInChI=1S/C11H11F2NO2/c1-14-5-9(15)10-6-2-3-16-11(6)8(13)4-7(10)12/h2-4,9,14-15H,5H2,1H3
InChIKeyPXPFYCKZWHBRFC-UHFFFAOYSA-N
XLogP1.96
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol
CID 117369734
2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
CID 117301032
ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate
CID 117393392
3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine
CID 117322960
2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol
CID 117293115
(5,7-difluoro-1-benzofuran-4-yl)methanol
CID 117279692
1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
CID 84710705
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanol
CID 117364300
1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
CID 139965748
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol (CID 117326258) is 1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol is CNCC(O)c1c(F)cc(F)c2occc12.
What is the InChIKey of 1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol?
The InChIKey is PXPFYCKZWHBRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-14-5-9(15)10-6-2-3-16-11(6)8(13)4-7(10)12/h2-4,9,14-15H,5H2,1H3.
What are the key properties of 1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol?
1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol has a molecular weight of 227.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 117326258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).