2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide

C12H15F3N2O3 — CID 103370996

IUPAC2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(COc1cc(OC)cc(OC)c1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c1-18-7-3-8(19-2)5-9(4-7)20-6-10(11(16)17)12(13,14)15/h3-5,10H,6H2,1-2H3,(H3,16,17)
InChIKeyHDPWYPYGCXKGFV-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.20
Rot. Bonds6

About 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide

2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370996) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370996
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(COc1cc(OC)cc(OC)c1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c1-18-7-3-8(19-2)5-9(4-7)20-6-10(11(16)17)12(13,14)15/h3-5,10H,6H2,1-2H3,(H3,16,17)
InChIKeyHDPWYPYGCXKGFV-UHFFFAOYSA-N
XLogP2.20
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide (CID 103370996) is 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(COc1cc(OC)cc(OC)c1)C(F)(F)F.
What is the InChIKey of 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is HDPWYPYGCXKGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-18-7-3-8(19-2)5-9(4-7)20-6-10(11(16)17)12(13,14)15/h3-5,10H,6H2,1-2H3,(H3,16,17).
What are the key properties of 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide?
2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 292.26 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).