3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine

C5H11F3N4 — CID 104882030

IUPAC3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\NN)N(C)CC(F)(F)F
InChIInChI=1S/C5H11F3N4/c1-10-4(11-9)12(2)3-5(6,7)8/h3,9H2,1-2H3,(H,10,11)
InChIKeyFFLULGQQYVZSAE-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.07
Rot. Bonds1

About 3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine

3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104882030) has the molecular formula C5H11F3N4 and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104882030
Molecular FormulaC5H11F3N4
Molecular Weight184.16 g/mol
Exact Mass184.09
IUPAC Name3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\NN)N(C)CC(F)(F)F
InChIInChI=1S/C5H11F3N4/c1-10-4(11-9)12(2)3-5(6,7)8/h3,9H2,1-2H3,(H,10,11)
InChIKeyFFLULGQQYVZSAE-UHFFFAOYSA-N
XLogP-0.07
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.07
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-dimethyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine (CID 104882030) is 3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine is C/N=C(\NN)N(C)CC(F)(F)F.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is FFLULGQQYVZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N4/c1-10-4(11-9)12(2)3-5(6,7)8/h3,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 184.16 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104882030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).