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

C8H14F3N3 — CID 62363901

IUPAC1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC/N=C(\N)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3N3/c1-2-13-7(12)14(6-3-4-6)5-8(9,10)11/h6H,2-5H2,1H3,(H2,12,13)
InChIKeyFJPALUWACFUJNV-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.35
Rot. Bonds3

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

1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62363901) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62363901
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC/N=C(\N)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3N3/c1-2-13-7(12)14(6-3-4-6)5-8(9,10)11/h6H,2-5H2,1H3,(H2,12,13)
InChIKeyFJPALUWACFUJNV-UHFFFAOYSA-N
XLogP1.35
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.35
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-cyclopropyl-2-ethyl-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

Related Compounds

N'-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
CID 154494482
1-Cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 61605167
1-Cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358421
2-Methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358422
2-Methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358423
2-(2-Methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361475
1-Ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362805
1-Ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362806
2-Cyclopropyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362807
1-Methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363432
2-Cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363433
1-Cyclopropyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364119

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62363901) is 1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine is CC/N=C(\N)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is FJPALUWACFUJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3/c1-2-13-7(12)14(6-3-4-6)5-8(9,10)11/h6H,2-5H2,1H3,(H2,12,13).
What are the key properties of 1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 209.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62363901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).