1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine

C12H13F2NO — CID 65439618

IUPAC1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc2c(F)ccc(F)c2o1
InChIInChI=1S/C12H13F2NO/c1-3-15-7(2)11-6-8-9(13)4-5-10(14)12(8)16-11/h4-7,15H,3H2,1-2H3
InChIKeyXQMOCGFDGYDHRO-UHFFFAOYSA-N
MW225.24 g/mol
LogP3.38
Rot. Bonds3

About 1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine

1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine (PubChem CID 65439618) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine
PubChem CID65439618
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc2c(F)ccc(F)c2o1
InChIInChI=1S/C12H13F2NO/c1-3-15-7(2)11-6-8-9(13)4-5-10(14)12(8)16-11/h4-7,15H,3H2,1-2H3
InChIKeyXQMOCGFDGYDHRO-UHFFFAOYSA-N
XLogP3.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 102990713
1-(4,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65439591
N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
CID 62812039
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 61281522
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440530
1-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62164275
N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine
CID 62499724
1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65441173
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
CID 107577103
N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732474
1-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62162522
1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440354

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine (CID 65439618) is 1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine is CCNC(C)c1cc2c(F)ccc(F)c2o1.
What is the InChIKey of 1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine?
The InChIKey is XQMOCGFDGYDHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-3-15-7(2)11-6-8-9(13)4-5-10(14)12(8)16-11/h4-7,15H,3H2,1-2H3.
What are the key properties of 1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine?
1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine has a molecular weight of 225.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 65439618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).