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

C12H12F3NO — CID 116914399

IUPAC1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCN(C)C(c1coc2ccccc12)C(F)(F)F
InChIInChI=1S/C12H12F3NO/c1-16(2)11(12(13,14)15)9-7-17-10-6-4-3-5-8(9)10/h3-7,11H,1-2H3
InChIKeyGBJIRALMDHBLGT-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.60
Rot. Bonds2

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

1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine (PubChem CID 116914399) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
PubChem CID116914399
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCN(C)C(c1coc2ccccc12)C(F)(F)F
InChIInChI=1S/C12H12F3NO/c1-16(2)11(12(13,14)15)9-7-17-10-6-4-3-5-8(9)10/h3-7,11H,1-2H3
InChIKeyGBJIRALMDHBLGT-UHFFFAOYSA-N
XLogP3.60
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
CID 116905700
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961416
lithium;3-(1-fluoroethyl)-1-benzofuran;hydride
CID 175140613
3-(1-benzofuran-3-yl)-3-(dimethylamino)propanenitrile
CID 116909994
1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905955
1-(1-benzofuran-3-yl)-2-bromopropan-1-ol
CID 116863408
1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 116912315
2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
CID 116849007
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
3-benzhydryl-1-benzofuran
CID 53493031
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine (CID 116914399) is 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine is CN(C)C(c1coc2ccccc12)C(F)(F)F.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The InChIKey is GBJIRALMDHBLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-16(2)11(12(13,14)15)9-7-17-10-6-4-3-5-8(9)10/h3-7,11H,1-2H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine has a molecular weight of 243.23 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 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,N-dimethylethanamine is sourced from PubChem (CID 116914399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).