2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide

C6H12F3N3O — CID 76912520

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC(F)(F)F
InChIInChI=1S/C6H12F3N3O/c1-2-12(3-5(10)11-13)4-6(7,8)9/h13H,2-4H2,1H3,(H2,10,11)
InChIKeyWVNILJONKIUYKC-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.62
Rot. Bonds4

About 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide

2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76912520) has the molecular formula C6H12F3N3O and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
PubChem CID76912520
Molecular FormulaC6H12F3N3O
Molecular Weight199.18 g/mol
Exact Mass199.09
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC(F)(F)F
InChIInChI=1S/C6H12F3N3O/c1-2-12(3-5(10)11-13)4-6(7,8)9/h13H,2-4H2,1H3,(H2,10,11)
InChIKeyWVNILJONKIUYKC-UHFFFAOYSA-N
XLogP0.62
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.62
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 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide (CID 76912520) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)CC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is WVNILJONKIUYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O/c1-2-12(3-5(10)11-13)4-6(7,8)9/h13H,2-4H2,1H3,(H2,10,11).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 199.18 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76912520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).