2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H19F3N2O3 — CID 103370503

IUPAC2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCC1CC(OCC(C(N)=NO)C(F)(F)F)CC(C)O1
InChIInChI=1S/C11H19F3N2O3/c1-6-3-8(4-7(2)19-6)18-5-9(10(15)16-17)11(12,13)14/h6-9,17H,3-5H2,1-2H3,(H2,15,16)
InChIKeyHVPCQMOEFDHLCM-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.88
Rot. Bonds4

About 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370503) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370503
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCC1CC(OCC(C(N)=NO)C(F)(F)F)CC(C)O1
InChIInChI=1S/C11H19F3N2O3/c1-6-3-8(4-7(2)19-6)18-5-9(10(15)16-17)11(12,13)14/h6-9,17H,3-5H2,1-2H3,(H2,15,16)
InChIKeyHVPCQMOEFDHLCM-UHFFFAOYSA-N
XLogP1.88
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.88
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 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370503) is 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CC1CC(OCC(C(N)=NO)C(F)(F)F)CC(C)O1.
What is the InChIKey of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is HVPCQMOEFDHLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-6-3-8(4-7(2)19-6)18-5-9(10(15)16-17)11(12,13)14/h6-9,17H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 284.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).