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

C12H12F3NO2 — CID 113399619

IUPAC[3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine
SMILESNCc1oc2ccccc2c1OCCC(F)(F)F
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)5-6-17-11-8-3-1-2-4-9(8)18-10(11)7-16/h1-4H,5-7,16H2
InChIKeyZTVFRFHVZGERJP-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.22
Rot. Bonds4

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

[3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine (PubChem CID 113399619) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is [3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine
PubChem CID113399619
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name[3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine
SMILESNCc1oc2ccccc2c1OCCC(F)(F)F
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)5-6-17-11-8-3-1-2-4-9(8)18-10(11)7-16/h1-4H,5-7,16H2
InChIKeyZTVFRFHVZGERJP-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine
CID 106721620
(3-methoxy-1-benzofuran-2-yl)methanamine
CID 75355394
(3-chloro-1-benzofuran-2-yl)methanamine
CID 83817093
[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine
CID 107040822
3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide
CID 54396511
4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
CID 64552253
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzofuran-2-yl]methanamine
CID 115942815
N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide
CID 163506559
[2-[(3-methoxy-3-methylbutoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 106667673
[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485823
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555

Frequently Asked Questions

What is the IUPAC name of [3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine (CID 113399619) is [3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine is NCc1oc2ccccc2c1OCCC(F)(F)F.
What is the InChIKey of [3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine?
The InChIKey is ZTVFRFHVZGERJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)5-6-17-11-8-3-1-2-4-9(8)18-10(11)7-16/h1-4H,5-7,16H2.
What are the key properties of [3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine?
[3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine has a molecular weight of 259.23 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 113399619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).