[2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine

C12H12F3NO2 — CID 62445406

IUPAC[2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COCC(F)(F)F)oc2ccccc12
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)7-17-6-11-9(5-16)8-3-1-2-4-10(8)18-11/h1-4H,5-7,16H2
InChIKeyVYGPKPJZGPNREU-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.97
Rot. Bonds4

About [2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine

[2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine (PubChem CID 62445406) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine
PubChem CID62445406
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name[2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COCC(F)(F)F)oc2ccccc12
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)7-17-6-11-9(5-16)8-3-1-2-4-10(8)18-11/h1-4H,5-7,16H2
InChIKeyVYGPKPJZGPNREU-UHFFFAOYSA-N
XLogP2.97
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine (CID 62445406) is [2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine is NCc1c(COCC(F)(F)F)oc2ccccc12.
What is the InChIKey of [2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine?
The InChIKey is VYGPKPJZGPNREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)7-17-6-11-9(5-16)8-3-1-2-4-10(8)18-11/h1-4H,5-7,16H2.
What are the key properties of [2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine?
[2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine has a molecular weight of 259.23 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62445406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).