N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide

C7H14F3N3O — CID 76883641

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

About N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide

N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide (PubChem CID 76883641) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
PubChem CID76883641
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC NameN'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-5(3-6(11)12-14)13(2)4-7(8,9)10/h5,14H,3-4H2,1-2H3,(H2,11,12)
InChIKeyRYTNECAPOUEHJO-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide (CID 76883641) is N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide is CC(CC(N)=NO)N(C)CC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The InChIKey is RYTNECAPOUEHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-5(3-6(11)12-14)13(2)4-7(8,9)10/h5,14H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide 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-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide is sourced from PubChem (CID 76883641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).