2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine

C12H12F3NO — CID 117121751

IUPAC2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine
SMILESCC(C)(N)c1coc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H12F3NO/c1-11(2,16)9-6-17-10-5-7(12(13,14)15)3-4-8(9)10/h3-6H,16H2,1-2H3
InChIKeyZGPBYAJSWUNUCU-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.65
Rot. Bonds1

About 2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine

2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine (PubChem CID 117121751) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine
PubChem CID117121751
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine
SMILESCC(C)(N)c1coc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H12F3NO/c1-11(2,16)9-6-17-10-5-7(12(13,14)15)3-4-8(9)10/h3-6H,16H2,1-2H3
InChIKeyZGPBYAJSWUNUCU-UHFFFAOYSA-N
XLogP3.65
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol
CID 117121746
2-[7-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine
CID 117122975
ethyl 3-(trifluoromethyl)-1-benzofuran-6-carboxylate
CID 166609325
6-tert-butyl-3-chloro-1-benzofuran
CID 153011852
2-(3-methyl-1-benzofuran-6-yl)propan-2-ol
CID 117204962
3-[(2,6-dibutylphenyl)methyl]-6-(trifluoromethyl)-1-benzofuran
CID 122129960
2-methyl-7-(trifluoromethyl)chromen-4-one
CID 125486339
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine
CID 117195401
7-(trifluoromethyl)-1,3-benzodioxine-2,4-dione
CID 23731268
2-(4-methyl-1-benzofuran-3-yl)propan-2-amine
CID 117119119
3,10-bis(trifluoromethyl)picene
CID 88902241
6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117185533

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine?
The IUPAC name of 2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine (CID 117121751) is 2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine.
What is the SMILES notation for 2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine?
The canonical SMILES for 2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine is CC(C)(N)c1coc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine?
The InChIKey is ZGPBYAJSWUNUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-11(2,16)9-6-17-10-5-7(12(13,14)15)3-4-8(9)10/h3-6H,16H2,1-2H3.
What are the key properties of 2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine?
2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine has a molecular weight of 243.23 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine is sourced from PubChem (CID 117121751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).