1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine

C11H10F3NO — CID 116961416

IUPAC1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1coc2ccccc12)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-15-10(11(12,13)14)8-6-16-9-5-3-2-4-7(8)9/h2-6,10,15H,1H3
InChIKeyLXKNLXJGQHTHHU-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.26
Rot. Bonds2

About 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine

1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 116961416) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID116961416
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1coc2ccccc12)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-15-10(11(12,13)14)8-6-16-9-5-3-2-4-7(8)9/h2-6,10,15H,1H3
InChIKeyLXKNLXJGQHTHHU-UHFFFAOYSA-N
XLogP3.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914399
2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile
CID 116955062
lithium;3-(1-fluoroethyl)-1-benzofuran;hydride
CID 175140613
3-(1-benzofuran-3-yl)-3-(methylamino)propanenitrile
CID 116955216
2-[1-benzofuran-3-yl(methylamino)methyl]butanoic acid
CID 116959746
1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine
CID 116949513
N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline
CID 82534647
1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 104738663
2-amino-3-(1-benzofuran-3-yl)-3-(methylamino)propanoic acid
CID 116957427
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
1-(1-benzofuran-3-yl)-1-(3-bromo-2,6-difluorophenyl)-N-methylmethanamine
CID 106942961
3-benzhydryl-1-benzofuran
CID 53493031

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine (CID 116961416) is 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine is CNC(c1coc2ccccc12)C(F)(F)F.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is LXKNLXJGQHTHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-15-10(11(12,13)14)8-6-16-9-5-3-2-4-7(8)9/h2-6,10,15H,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine?
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 229.20 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 116961416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).