N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide

C13H18F3N3O2 — CID 107480180

IUPACN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CN(CCO)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)9-19(6-7-20)8-11(12(17)18-21)10-4-2-1-3-5-10/h1-5,11,20-21H,6-9H2,(H2,17,18)
InChIKeyFLOIBOSSHPOMNG-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.37
Rot. Bonds7

About N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide

N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide (PubChem CID 107480180) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide
PubChem CID107480180
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CN(CCO)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)9-19(6-7-20)8-11(12(17)18-21)10-4-2-1-3-5-10/h1-5,11,20-21H,6-9H2,(H2,17,18)
InChIKeyFLOIBOSSHPOMNG-UHFFFAOYSA-N
XLogP1.37
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.37
H-Bond Donors ≤ 53
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 N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide (CID 107480180) is N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide is N/C(=N/O)C(CN(CCO)CC(F)(F)F)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide?
The InChIKey is FLOIBOSSHPOMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)9-19(6-7-20)8-11(12(17)18-21)10-4-2-1-3-5-10/h1-5,11,20-21H,6-9H2,(H2,17,18).
What are the key properties of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide has a molecular weight of 305.30 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 107480180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).