3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine

C5H12F2N4 — CID 104882497

IUPAC3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)CC(F)F
InChIInChI=1S/C5H12F2N4/c1-9-5(10-8)11(2)3-4(6)7/h4H,3,8H2,1-2H3,(H,9,10)
InChIKeyCAGFMQBRBJPWGG-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.37
Rot. Bonds2

About 3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine

3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine (PubChem CID 104882497) has the molecular formula C5H12F2N4 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine
PubChem CID104882497
Molecular FormulaC5H12F2N4
Molecular Weight166.18 g/mol
Exact Mass166.10
IUPAC Name3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)CC(F)F
InChIInChI=1S/C5H12F2N4/c1-9-5(10-8)11(2)3-4(6)7/h4H,3,8H2,1-2H3,(H,9,10)
InChIKeyCAGFMQBRBJPWGG-UHFFFAOYSA-N
XLogP-0.37
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine?
The IUPAC name of 3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine (CID 104882497) is 3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine.
What is the SMILES notation for 3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine?
The canonical SMILES for 3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine is C/N=C(\NN)N(C)CC(F)F.
What is the InChIKey of 3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine?
The InChIKey is CAGFMQBRBJPWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N4/c1-9-5(10-8)11(2)3-4(6)7/h4H,3,8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine?
3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine has a molecular weight of 166.18 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine is sourced from PubChem (CID 104882497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).