2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide

C6H12F3N3O — CID 107480284

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCO)CC(F)(F)F
InChIInChI=1S/C6H12F3N3O/c7-6(8,9)4-12(1-2-13)3-5(10)11/h13H,1-4H2,(H3,10,11)
InChIKeyGPZAPVBPGCYNPX-UHFFFAOYSA-N
MW199.18 g/mol
LogP-0.22
Rot. Bonds5

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide (PubChem CID 107480284) has the molecular formula C6H12F3N3O and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
PubChem CID107480284
Molecular FormulaC6H12F3N3O
Molecular Weight199.18 g/mol
Exact Mass199.09
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CCO)CC(F)(F)F
InChIInChI=1S/C6H12F3N3O/c7-6(8,9)4-12(1-2-13)3-5(10)11/h13H,1-4H2,(H3,10,11)
InChIKeyGPZAPVBPGCYNPX-UHFFFAOYSA-N
XLogP-0.22
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 5-0.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide (CID 107480284) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide is [H]/N=C(\N)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The InChIKey is GPZAPVBPGCYNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O/c7-6(8,9)4-12(1-2-13)3-5(10)11/h13H,1-4H2,(H3,10,11).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide has a molecular weight of 199.18 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide is sourced from PubChem (CID 107480284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).