3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide

C8H15F3N2O2 — CID 103371059

IUPAC3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(COC(C)COC)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-5(3-14-2)15-4-6(7(12)13)8(9,10)11/h5-6H,3-4H2,1-2H3,(H3,12,13)
InChIKeyBAISBMAYQNWFEX-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.15
Rot. Bonds6

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

3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide (PubChem CID 103371059) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide
PubChem CID103371059
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(COC(C)COC)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-5(3-14-2)15-4-6(7(12)13)8(9,10)11/h5-6H,3-4H2,1-2H3,(H3,12,13)
InChIKeyBAISBMAYQNWFEX-UHFFFAOYSA-N
XLogP1.15
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide (CID 103371059) is 3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide is [H]/N=C(\N)C(COC(C)COC)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide?
The InChIKey is BAISBMAYQNWFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-5(3-14-2)15-4-6(7(12)13)8(9,10)11/h5-6H,3-4H2,1-2H3,(H3,12,13).
What are the key properties of 3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide?
3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide has a molecular weight of 228.21 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1-methoxypropan-2-yloxymethyl)propanimidamide is sourced from PubChem (CID 103371059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).