4,4,4-trifluorobutanimidamide;hydrochloride

C4H8ClF3N2 — CID 71758218

IUPAC4,4,4-trifluorobutanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCC(F)(F)F
InChIInChI=1S/C4H7F3N2.ClH/c5-4(6,7)2-1-3(8)9;/h1-2H2,(H3,8,9);1H
InChIKeyRZDZYIZVZIWNEC-UHFFFAOYSA-N
MW176.57 g/mol
LogP1.69
Rot. Bonds2

About 4,4,4-trifluorobutanimidamide;hydrochloride

4,4,4-trifluorobutanimidamide;hydrochloride (PubChem CID 71758218) has the molecular formula C4H8ClF3N2 and a molecular weight of 176.57 g/mol. Its IUPAC name is 4,4,4-trifluorobutanimidamide;hydrochloride.

Molecular Properties

Compound Name4,4,4-trifluorobutanimidamide;hydrochloride
PubChem CID71758218
Molecular FormulaC4H8ClF3N2
Molecular Weight176.57 g/mol
Exact Mass176.03
IUPAC Name4,4,4-trifluorobutanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCC(F)(F)F
InChIInChI=1S/C4H7F3N2.ClH/c5-4(6,7)2-1-3(8)9;/h1-2H2,(H3,8,9);1H
InChIKeyRZDZYIZVZIWNEC-UHFFFAOYSA-N
XLogP1.69
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.57
LogP ≤ 51.69
H-Bond Donors ≤ 52
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 4,4,4-trifluorobutanimidamide;hydrochloride?
The IUPAC name of 4,4,4-trifluorobutanimidamide;hydrochloride (CID 71758218) is 4,4,4-trifluorobutanimidamide;hydrochloride.
What is the SMILES notation for 4,4,4-trifluorobutanimidamide;hydrochloride?
The canonical SMILES for 4,4,4-trifluorobutanimidamide;hydrochloride is Cl.[H]/N=C(\N)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluorobutanimidamide;hydrochloride?
The InChIKey is RZDZYIZVZIWNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2.ClH/c5-4(6,7)2-1-3(8)9;/h1-2H2,(H3,8,9);1H.
What are the key properties of 4,4,4-trifluorobutanimidamide;hydrochloride?
4,4,4-trifluorobutanimidamide;hydrochloride has a molecular weight of 176.57 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobutanimidamide;hydrochloride is sourced from PubChem (CID 71758218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).