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

C5H10F3N3 — CID 60891570

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-11(2-4(9)10)3-5(6,7)8/h2-3H2,1H3,(H3,9,10)
InChIKeyGEDVVJIGCRIEDH-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.42
Rot. Bonds3

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

2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide (PubChem CID 60891570) has the molecular formula C5H10F3N3 and a molecular weight of 169.15 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide
PubChem CID60891570
Molecular FormulaC5H10F3N3
Molecular Weight169.15 g/mol
Exact Mass169.08
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-11(2-4(9)10)3-5(6,7)8/h2-3H2,1H3,(H3,9,10)
InChIKeyGEDVVJIGCRIEDH-UHFFFAOYSA-N
XLogP0.42
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide (CID 60891570) is 2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The InChIKey is GEDVVJIGCRIEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3/c1-11(2-4(9)10)3-5(6,7)8/h2-3H2,1H3,(H3,9,10).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide has a molecular weight of 169.15 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide is sourced from PubChem (CID 60891570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).