3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide

C11H19F3N2O2 — CID 103370342

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide
SMILESCC1CCC(OCC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-7-2-4-8(5-3-7)18-6-9(10(15)16-17)11(12,13)14/h7-9,17H,2-6H2,1H3,(H2,15,16)
InChIKeySHQPJXJTVVAKHM-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.51
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide (PubChem CID 103370342) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide
PubChem CID103370342
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide
SMILESCC1CCC(OCC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-7-2-4-8(5-3-7)18-6-9(10(15)16-17)11(12,13)14/h7-9,17H,2-6H2,1H3,(H2,15,16)
InChIKeySHQPJXJTVVAKHM-UHFFFAOYSA-N
XLogP2.51
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.51
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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide (CID 103370342) is 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide is CC1CCC(OCC(C(N)=NO)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide?
The InChIKey is SHQPJXJTVVAKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-7-2-4-8(5-3-7)18-6-9(10(15)16-17)11(12,13)14/h7-9,17H,2-6H2,1H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide has a molecular weight of 268.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylcyclohexyl)oxymethyl]propanimidamide is sourced from PubChem (CID 103370342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).