N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide

C10H20F3N3O2 — CID 77062181

IUPACN'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
SMILESCC(C)(CCNCCOCC(F)(F)F)C(N)=NO
InChIInChI=1S/C10H20F3N3O2/c1-9(2,8(14)16-17)3-4-15-5-6-18-7-10(11,12)13/h15,17H,3-7H2,1-2H3,(H2,14,16)
InChIKeyYVMLAEOTFZOWMA-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.32
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide (PubChem CID 77062181) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
PubChem CID77062181
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
SMILESCC(C)(CCNCCOCC(F)(F)F)C(N)=NO
InChIInChI=1S/C10H20F3N3O2/c1-9(2,8(14)16-17)3-4-15-5-6-18-7-10(11,12)13/h15,17H,3-7H2,1-2H3,(H2,14,16)
InChIKeyYVMLAEOTFZOWMA-UHFFFAOYSA-N
XLogP1.32
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide (CID 77062181) is N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide is CC(C)(CCNCCOCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide?
The InChIKey is YVMLAEOTFZOWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-9(2,8(14)16-17)3-4-15-5-6-18-7-10(11,12)13/h15,17H,3-7H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide has a molecular weight of 271.28 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide is sourced from PubChem (CID 77062181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).