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

C12H20F3N3 — CID 62362298

IUPAC2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\C1CCCCC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H20F3N3/c13-12(14,15)8-18(10-6-7-10)11(16)17-9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,16,17)
InChIKeyGIJRHVIWKYHMAI-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.66
Rot. Bonds3

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

2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62362298) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62362298
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\C1CCCCC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H20F3N3/c13-12(14,15)8-18(10-6-7-10)11(16)17-9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,16,17)
InChIKeyGIJRHVIWKYHMAI-UHFFFAOYSA-N
XLogP2.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62362298) is 2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine is N/C(=N\C1CCCCC1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is GIJRHVIWKYHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c13-12(14,15)8-18(10-6-7-10)11(16)17-9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,16,17).
What are the key properties of 2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine?
2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 263.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62362298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).