3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide

C6H8F6N2O2 — CID 103370324

IUPAC3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide
SMILESNC(=NO)C(COCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6N2O2/c7-5(8,9)2-16-1-3(4(13)14-15)6(10,11)12/h3,15H,1-2H2,(H2,13,14)
InChIKeyFQYCKOVVHBEAEO-UHFFFAOYSA-N
MW254.13 g/mol
LogP1.49
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide (PubChem CID 103370324) has the molecular formula C6H8F6N2O2 and a molecular weight of 254.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide
PubChem CID103370324
Molecular FormulaC6H8F6N2O2
Molecular Weight254.13 g/mol
Exact Mass254.05
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide
SMILESNC(=NO)C(COCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6N2O2/c7-5(8,9)2-16-1-3(4(13)14-15)6(10,11)12/h3,15H,1-2H2,(H2,13,14)
InChIKeyFQYCKOVVHBEAEO-UHFFFAOYSA-N
XLogP1.49
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide (CID 103370324) is 3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide is NC(=NO)C(COCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide?
The InChIKey is FQYCKOVVHBEAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6N2O2/c7-5(8,9)2-16-1-3(4(13)14-15)6(10,11)12/h3,15H,1-2H2,(H2,13,14).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide has a molecular weight of 254.13 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide is sourced from PubChem (CID 103370324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).