3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide

C8H15F3N2O3 — CID 103370465

IUPAC3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide
SMILESCOCC(C)OCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-5(3-15-2)16-4-6(7(12)13-14)8(9,10)11/h5-6,14H,3-4H2,1-2H3,(H2,12,13)
InChIKeyGTROPVNCZYVEDX-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.96
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide (PubChem CID 103370465) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide
PubChem CID103370465
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide
SMILESCOCC(C)OCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-5(3-15-2)16-4-6(7(12)13-14)8(9,10)11/h5-6,14H,3-4H2,1-2H3,(H2,12,13)
InChIKeyGTROPVNCZYVEDX-UHFFFAOYSA-N
XLogP0.96
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.96
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-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide (CID 103370465) is 3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide is COCC(C)OCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide?
The InChIKey is GTROPVNCZYVEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c1-5(3-15-2)16-4-6(7(12)13-14)8(9,10)11/h5-6,14H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-(1-methoxypropan-2-yloxymethyl)propanimidamide has a molecular weight of 244.21 g/mol, XLogP of 0.96, 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-(1-methoxypropan-2-yloxymethyl)propanimidamide is sourced from PubChem (CID 103370465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).