3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide

C10H19F3N2O3 — CID 103370502

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide
SMILESCC(C)(C)OCCOCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-9(2,3)18-5-4-17-6-7(8(14)15-16)10(11,12)13/h7,16H,4-6H2,1-3H3,(H2,14,15)
InChIKeyPEKRDHVISVAYJF-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.74
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide (PubChem CID 103370502) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide
PubChem CID103370502
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide
SMILESCC(C)(C)OCCOCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-9(2,3)18-5-4-17-6-7(8(14)15-16)10(11,12)13/h7,16H,4-6H2,1-3H3,(H2,14,15)
InChIKeyPEKRDHVISVAYJF-UHFFFAOYSA-N
XLogP1.74
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide (CID 103370502) is 3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide is CC(C)(C)OCCOCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide?
The InChIKey is PEKRDHVISVAYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-9(2,3)18-5-4-17-6-7(8(14)15-16)10(11,12)13/h7,16H,4-6H2,1-3H3,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide has a molecular weight of 272.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propanimidamide is sourced from PubChem (CID 103370502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).