2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide

C8H13F3N2O2 — CID 103370372

IUPAC2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(COCC1CC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6(7(12)13-14)4-15-3-5-1-2-5/h5-6,14H,1-4H2,(H2,12,13)
InChIKeyCPBSTBFUEJIMBL-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.34
Rot. Bonds5

About 2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370372) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370372
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESNC(=NO)C(COCC1CC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6(7(12)13-14)4-15-3-5-1-2-5/h5-6,14H,1-4H2,(H2,12,13)
InChIKeyCPBSTBFUEJIMBL-UHFFFAOYSA-N
XLogP1.34
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.34
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 2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370372) is 2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide is NC(=NO)C(COCC1CC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is CPBSTBFUEJIMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)6(7(12)13-14)4-15-3-5-1-2-5/h5-6,14H,1-4H2,(H2,12,13).
What are the key properties of 2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 226.20 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).