2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine

C5H11F3N4 — CID 77054047

IUPAC2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)C(N)=NN
InChIInChI=1S/C5H11F3N4/c1-2-12(4(9)11-10)3-5(6,7)8/h2-3,10H2,1H3,(H2,9,11)
InChIKeyWTQQTCGPOLHYGU-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.06
Rot. Bonds2

About 2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine

2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 77054047) has the molecular formula C5H11F3N4 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID77054047
Molecular FormulaC5H11F3N4
Molecular Weight184.16 g/mol
Exact Mass184.09
IUPAC Name2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)C(N)=NN
InChIInChI=1S/C5H11F3N4/c1-2-12(4(9)11-10)3-5(6,7)8/h2-3,10H2,1H3,(H2,9,11)
InChIKeyWTQQTCGPOLHYGU-UHFFFAOYSA-N
XLogP0.06
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.06
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 2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine (CID 77054047) is 2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine is CCN(CC(F)(F)F)C(N)=NN.
What is the InChIKey of 2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is WTQQTCGPOLHYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N4/c1-2-12(4(9)11-10)3-5(6,7)8/h2-3,10H2,1H3,(H2,9,11).
What are the key properties of 2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 184.16 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 77054047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).