2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride

C3H6ClF3N2 — CID 121231764

IUPAC2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
SMILESC/N=C(\N)C(F)(F)F.Cl
InChIInChI=1S/C3H5F3N2.ClH/c1-8-2(7)3(4,5)6;/h1H3,(H2,7,8);1H
InChIKeyRIFDRDACUFAJLX-UHFFFAOYSA-N
MW162.54 g/mol
LogP0.96
Rot. Bonds

About 2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride

2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride (PubChem CID 121231764) has the molecular formula C3H6ClF3N2 and a molecular weight of 162.54 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
PubChem CID121231764
Molecular FormulaC3H6ClF3N2
Molecular Weight162.54 g/mol
Exact Mass162.02
IUPAC Name2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
SMILESC/N=C(\N)C(F)(F)F.Cl
InChIInChI=1S/C3H5F3N2.ClH/c1-8-2(7)3(4,5)6;/h1H3,(H2,7,8);1H
InChIKeyRIFDRDACUFAJLX-UHFFFAOYSA-N
XLogP0.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.54
LogP ≤ 50.96
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 2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride (CID 121231764) is 2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride is C/N=C(\N)C(F)(F)F.Cl.
What is the InChIKey of 2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride?
The InChIKey is RIFDRDACUFAJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N2.ClH/c1-8-2(7)3(4,5)6;/h1H3,(H2,7,8);1H.
What are the key properties of 2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride?
2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride has a molecular weight of 162.54 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride is sourced from PubChem (CID 121231764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).