N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide

C7H14F3N3O — CID 76912546

IUPACN'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILESCC(C)N(CC(N)=NO)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-5(2)13(3-6(11)12-14)4-7(8,9)10/h5,14H,3-4H2,1-2H3,(H2,11,12)
InChIKeyVHXKJALHQVCJAE-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.01
Rot. Bonds4

About N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide

N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide (PubChem CID 76912546) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide
PubChem CID76912546
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC NameN'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILESCC(C)N(CC(N)=NO)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-5(2)13(3-6(11)12-14)4-7(8,9)10/h5,14H,3-4H2,1-2H3,(H2,11,12)
InChIKeyVHXKJALHQVCJAE-UHFFFAOYSA-N
XLogP1.01
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.01
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 N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

Dimethylaminopropionamidoxime
CID 76915189
N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 60890614
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 61604591
2-[Methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61691322
2-[Ethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61691394
2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide
CID 61900578
N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 76883641
N'-hydroxy-2-[propyl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 76912516
2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
CID 76912520
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
CID 76912585
N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76914994
2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76915224

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide (CID 76912546) is N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide is CC(C)N(CC(N)=NO)CC(F)(F)F.
What is the InChIKey of N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The InChIKey is VHXKJALHQVCJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-5(2)13(3-6(11)12-14)4-7(8,9)10/h5,14H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide?
N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide has a molecular weight of 213.20 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide is sourced from PubChem (CID 76912546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).