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

C9H16F3N3 — CID 62364071

IUPAC1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\CC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C9H16F3N3/c10-9(11,12)6-14-8(13)15-7-4-2-1-3-5-7/h7H,1-6H2,(H3,13,14,15)
InChIKeySZLOWJLIQMVQRK-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.79
Rot. Bonds2

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

1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62364071) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID62364071
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
SMILESN/C(=N\CC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C9H16F3N3/c10-9(11,12)6-14-8(13)15-7-4-2-1-3-5-7/h7H,1-6H2,(H3,13,14,15)
InChIKeySZLOWJLIQMVQRK-UHFFFAOYSA-N
XLogP1.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.79
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine (CID 62364071) is 1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine is N/C(=N\CC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is SZLOWJLIQMVQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c10-9(11,12)6-14-8(13)15-7-4-2-1-3-5-7/h7H,1-6H2,(H3,13,14,15).
What are the key properties of 1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine?
1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 223.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62364071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).