3,3,3-trifluoropropanimidamide;hydrochloride

C3H6ClF3N2 — CID 44607844

IUPAC3,3,3-trifluoropropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC(F)(F)F
InChIInChI=1S/C3H5F3N2.ClH/c4-3(5,6)1-2(7)8;/h1H2,(H3,7,8);1H
InChIKeyFUVWRAIGNJBVSP-UHFFFAOYSA-N
MW162.54 g/mol
LogP1.30
Rot. Bonds1

About 3,3,3-trifluoropropanimidamide;hydrochloride

3,3,3-trifluoropropanimidamide;hydrochloride (PubChem CID 44607844) has the molecular formula C3H6ClF3N2 and a molecular weight of 162.54 g/mol. Its IUPAC name is 3,3,3-trifluoropropanimidamide;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoropropanimidamide;hydrochloride
PubChem CID44607844
Molecular FormulaC3H6ClF3N2
Molecular Weight162.54 g/mol
Exact Mass162.02
IUPAC Name3,3,3-trifluoropropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC(F)(F)F
InChIInChI=1S/C3H5F3N2.ClH/c4-3(5,6)1-2(7)8;/h1H2,(H3,7,8);1H
InChIKeyFUVWRAIGNJBVSP-UHFFFAOYSA-N
XLogP1.30
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.54
LogP ≤ 51.30
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 3,3,3-trifluoropropanimidamide;hydrochloride?
The IUPAC name of 3,3,3-trifluoropropanimidamide;hydrochloride (CID 44607844) is 3,3,3-trifluoropropanimidamide;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoropropanimidamide;hydrochloride?
The canonical SMILES for 3,3,3-trifluoropropanimidamide;hydrochloride is Cl.[H]/N=C(\N)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropanimidamide;hydrochloride?
The InChIKey is FUVWRAIGNJBVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N2.ClH/c4-3(5,6)1-2(7)8;/h1H2,(H3,7,8);1H.
What are the key properties of 3,3,3-trifluoropropanimidamide;hydrochloride?
3,3,3-trifluoropropanimidamide;hydrochloride has a molecular weight of 162.54 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropanimidamide;hydrochloride is sourced from PubChem (CID 44607844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).