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

C9H16F3N3 — CID 62364120

IUPAC1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)/N=C(\N)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3N3/c1-6(2)14-8(13)15(7-3-4-7)5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H2,13,14)
InChIKeyQMARINYCMBDWTH-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.74
Rot. Bonds3

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

1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62364120) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62364120
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)/N=C(\N)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3N3/c1-6(2)14-8(13)15(7-3-4-7)5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H2,13,14)
InChIKeyQMARINYCMBDWTH-UHFFFAOYSA-N
XLogP1.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.74
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-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-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (CID 62364120) is 1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is CC(C)/N=C(\N)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is QMARINYCMBDWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c1-6(2)14-8(13)15(7-3-4-7)5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of 1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 223.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62364120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).