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

C5H10F3N3 — CID 62362177

IUPAC1-ethyl-2-(2,2,2-trifluoroethyl)guanidine
SMILESCCN/C(N)=N/CC(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3,(H3,9,10,11)
InChIKeySCNPBTCWUWOWJI-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.47
Rot. Bonds2

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

1-ethyl-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62362177) has the molecular formula C5H10F3N3 and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-ethyl-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID62362177
Molecular FormulaC5H10F3N3
Molecular Weight169.15 g/mol
Exact Mass169.08
IUPAC Name1-ethyl-2-(2,2,2-trifluoroethyl)guanidine
SMILESCCN/C(N)=N/CC(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3,(H3,9,10,11)
InChIKeySCNPBTCWUWOWJI-UHFFFAOYSA-N
XLogP0.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.47
H-Bond Donors ≤ 52
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-(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

Related Compounds

N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide
CID 13377748
2-Methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 22977224
1-Propan-2-yl-2-(2,2,2-trifluoroethyl)guanidine
CID 62362391
N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 70548029
N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 70548032
1-(2,2-Difluoroethyl)-2-methylguanidine
CID 79059355
1-(Diaminomethylidene)-3-ethyl-2-(2,2,2-trifluoroethyl)guanidine;hydrochloride
CID 88836714
1,2-Bis(2,2,3,3-tetrafluoropropyl)guanidine
CID 89646080
1-(2-Fluoroethyl)-2,3-dimethylguanidine
CID 90274200
1-(2-Fluoroethyl)-2-methylguanidine
CID 117684259
2-(2-Fluoroethyl)-1-propan-2-ylguanidine
CID 123994639
1-Ethyl-2-(2-fluoroethyl)guanidine
CID 126973617

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-ethyl-2-(2,2,2-trifluoroethyl)guanidine (CID 62362177) is 1-ethyl-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2,2,2-trifluoroethyl)guanidine is CCN/C(N)=N/CC(F)(F)F.
What is the InChIKey of 1-ethyl-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is SCNPBTCWUWOWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3,(H3,9,10,11).
What are the key properties of 1-ethyl-2-(2,2,2-trifluoroethyl)guanidine?
1-ethyl-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 169.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62362177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).