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

C8H14F3N3 — CID 62364070

IUPAC1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\CC(F)(F)F)NC1CCCC1
InChIInChI=1S/C8H14F3N3/c9-8(10,11)5-13-7(12)14-6-3-1-2-4-6/h6H,1-5H2,(H3,12,13,14)
InChIKeyQFLPXWRXBZZWNV-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.40
Rot. Bonds2

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

1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62364070) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID62364070
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\CC(F)(F)F)NC1CCCC1
InChIInChI=1S/C8H14F3N3/c9-8(10,11)5-13-7(12)14-6-3-1-2-4-6/h6H,1-5H2,(H3,12,13,14)
InChIKeyQFLPXWRXBZZWNV-UHFFFAOYSA-N
XLogP1.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.40
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-cyclopentyl-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine (CID 62364070) is 1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine is N/C(=N\CC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is QFLPXWRXBZZWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3/c9-8(10,11)5-13-7(12)14-6-3-1-2-4-6/h6H,1-5H2,(H3,12,13,14).
What are the key properties of 1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine?
1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 209.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62364070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).