2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride

C7H12ClF3N4 — CID 67747686

IUPAC2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=CC(C1CC1)C(F)(F)F
InChIInChI=1S/C7H11F3N4.ClH/c8-7(9,10)5(4-1-2-4)3-13-14-6(11)12;/h3-5H,1-2H2,(H4,11,12,14);1H
InChIKeyHXUYJRWALZQZMT-UHFFFAOYSA-N
MW244.65 g/mol
LogP1.26
Rot. Bonds3

About 2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride

2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride (PubChem CID 67747686) has the molecular formula C7H12ClF3N4 and a molecular weight of 244.65 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride
PubChem CID67747686
Molecular FormulaC7H12ClF3N4
Molecular Weight244.65 g/mol
Exact Mass244.07
IUPAC Name2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=CC(C1CC1)C(F)(F)F
InChIInChI=1S/C7H11F3N4.ClH/c8-7(9,10)5(4-1-2-4)3-13-14-6(11)12;/h3-5H,1-2H2,(H4,11,12,14);1H
InChIKeyHXUYJRWALZQZMT-UHFFFAOYSA-N
XLogP1.26
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.26
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride?
The IUPAC name of 2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride (CID 67747686) is 2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride is Cl.NC(N)=NN=CC(C1CC1)C(F)(F)F.
What is the InChIKey of 2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride?
The InChIKey is HXUYJRWALZQZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4.ClH/c8-7(9,10)5(4-1-2-4)3-13-14-6(11)12;/h3-5H,1-2H2,(H4,11,12,14);1H.
What are the key properties of 2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride?
2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride has a molecular weight of 244.65 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride is sourced from PubChem (CID 67747686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).