N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide

C6H12F3N3O — CID 77029332

IUPACN'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide
SMILESCC(CNCC(F)(F)F)C(N)=NO
InChIInChI=1S/C6H12F3N3O/c1-4(5(10)12-13)2-11-3-6(7,8)9/h4,11,13H,2-3H2,1H3,(H2,10,12)
InChIKeyQJVIZXRQXKWTAN-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.52
Rot. Bonds4

About N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide

N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide (PubChem CID 77029332) has the molecular formula C6H12F3N3O and a molecular weight of 199.18 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide
PubChem CID77029332
Molecular FormulaC6H12F3N3O
Molecular Weight199.18 g/mol
Exact Mass199.09
IUPAC NameN'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide
SMILESCC(CNCC(F)(F)F)C(N)=NO
InChIInChI=1S/C6H12F3N3O/c1-4(5(10)12-13)2-11-3-6(7,8)9/h4,11,13H,2-3H2,1H3,(H2,10,12)
InChIKeyQJVIZXRQXKWTAN-UHFFFAOYSA-N
XLogP0.52
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.52
H-Bond Donors ≤ 53
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 N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide (CID 77029332) is N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide is CC(CNCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide?
The InChIKey is QJVIZXRQXKWTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O/c1-4(5(10)12-13)2-11-3-6(7,8)9/h4,11,13H,2-3H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide has a molecular weight of 199.18 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide is sourced from PubChem (CID 77029332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).