3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide

C9H11F3N2O3 — CID 103370325

IUPAC3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide
SMILESN/C(=N/O)C(COCc1ccco1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c10-9(11,12)7(8(13)14-15)5-16-4-6-2-1-3-17-6/h1-3,7,15H,4-5H2,(H2,13,14)
InChIKeyUYEMZPBLTNAKRU-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.72
Rot. Bonds5

About 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide

3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide (PubChem CID 103370325) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide
PubChem CID103370325
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide
SMILESN/C(=N/O)C(COCc1ccco1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c10-9(11,12)7(8(13)14-15)5-16-4-6-2-1-3-17-6/h1-3,7,15H,4-5H2,(H2,13,14)
InChIKeyUYEMZPBLTNAKRU-UHFFFAOYSA-N
XLogP1.72
TPSA80.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.72
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide (CID 103370325) is 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide is N/C(=N/O)C(COCc1ccco1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide?
The InChIKey is UYEMZPBLTNAKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c10-9(11,12)7(8(13)14-15)5-16-4-6-2-1-3-17-6/h1-3,7,15H,4-5H2,(H2,13,14).
What are the key properties of 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide?
3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide has a molecular weight of 252.19 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).