1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

C8H16F3N3 — CID 62362806

IUPAC1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)/C(N)=N/C(C)C
InChIInChI=1S/C8H16F3N3/c1-4-14(5-8(9,10)11)7(12)13-6(2)3/h6H,4-5H2,1-3H3,(H2,12,13)
InChIKeyYSNMMQKPMYQDHX-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.59
Rot. Bonds3

About 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62362806) has the molecular formula C8H16F3N3 and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62362806
Molecular FormulaC8H16F3N3
Molecular Weight211.23 g/mol
Exact Mass211.13
IUPAC Name1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)/C(N)=N/C(C)C
InChIInChI=1S/C8H16F3N3/c1-4-14(5-8(9,10)11)7(12)13-6(2)3/h6H,4-5H2,1-3H3,(H2,12,13)
InChIKeyYSNMMQKPMYQDHX-UHFFFAOYSA-N
XLogP1.59
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (CID 62362806) is 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is CCN(CC(F)(F)F)/C(N)=N/C(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is YSNMMQKPMYQDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3/c1-4-14(5-8(9,10)11)7(12)13-6(2)3/h6H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 211.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62362806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).