1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine

C7H12F4N4 — CID 106296453

IUPAC1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
SMILESNN/C(=N\CC(F)(F)C(F)F)NC1CC1
InChIInChI=1S/C7H12F4N4/c8-5(9)7(10,11)3-13-6(15-12)14-4-1-2-4/h4-5H,1-3,12H2,(H2,13,14,15)
InChIKeyIPKHZLXRQJFLKB-UHFFFAOYSA-N
MW228.19 g/mol
LogP0.46
Rot. Bonds4

About 1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine

1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine (PubChem CID 106296453) has the molecular formula C7H12F4N4 and a molecular weight of 228.19 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
PubChem CID106296453
Molecular FormulaC7H12F4N4
Molecular Weight228.19 g/mol
Exact Mass228.10
IUPAC Name1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
SMILESNN/C(=N\CC(F)(F)C(F)F)NC1CC1
InChIInChI=1S/C7H12F4N4/c8-5(9)7(10,11)3-13-6(15-12)14-4-1-2-4/h4-5H,1-3,12H2,(H2,13,14,15)
InChIKeyIPKHZLXRQJFLKB-UHFFFAOYSA-N
XLogP0.46
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-cyclopropyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885808
1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296456
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
CID 114128970
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
CID 104885055
1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
CID 104885101
1-amino-3-cyclopropyl-2-(2-ethoxypropyl)guanidine
CID 104888647
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
2-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N-methylacetamide
CID 104883713

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine (CID 106296453) is 1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine is NN/C(=N\CC(F)(F)C(F)F)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The InChIKey is IPKHZLXRQJFLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4N4/c8-5(9)7(10,11)3-13-6(15-12)14-4-1-2-4/h4-5H,1-3,12H2,(H2,13,14,15).
What are the key properties of 1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine has a molecular weight of 228.19 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine is sourced from PubChem (CID 106296453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).