N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride

C4H8ClF3N2 — CID 86635267

IUPACN'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride
SMILESC/C(N)=N\CC(F)(F)F.Cl
InChIInChI=1S/C4H7F3N2.ClH/c1-3(8)9-2-4(5,6)7;/h2H2,1H3,(H2,8,9);1H
InChIKeyQFNFTTIBHJQCNW-UHFFFAOYSA-N
MW176.57 g/mol
LogP1.35
Rot. Bonds1

About N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride

N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride (PubChem CID 86635267) has the molecular formula C4H8ClF3N2 and a molecular weight of 176.57 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride
PubChem CID86635267
Molecular FormulaC4H8ClF3N2
Molecular Weight176.57 g/mol
Exact Mass176.03
IUPAC NameN'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride
SMILESC/C(N)=N\CC(F)(F)F.Cl
InChIInChI=1S/C4H7F3N2.ClH/c1-3(8)9-2-4(5,6)7;/h2H2,1H3,(H2,8,9);1H
InChIKeyQFNFTTIBHJQCNW-UHFFFAOYSA-N
XLogP1.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.57
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride?
The IUPAC name of N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride (CID 86635267) is N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride?
The canonical SMILES for N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride is C/C(N)=N\CC(F)(F)F.Cl.
What is the InChIKey of N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride?
The InChIKey is QFNFTTIBHJQCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2.ClH/c1-3(8)9-2-4(5,6)7;/h2H2,1H3,(H2,8,9);1H.
What are the key properties of N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride?
N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride has a molecular weight of 176.57 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroethyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 86635267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).