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

C11H20F3N3 — CID 55064154

IUPAC2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)/C(N)=N/C1CCCCC1
InChIInChI=1S/C11H20F3N3/c1-2-17(8-11(12,13)14)10(15)16-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16)
InChIKeyUGJMXKIXDQGOPV-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.52
Rot. Bonds3

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

2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 55064154) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID55064154
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)/C(N)=N/C1CCCCC1
InChIInChI=1S/C11H20F3N3/c1-2-17(8-11(12,13)14)10(15)16-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16)
InChIKeyUGJMXKIXDQGOPV-UHFFFAOYSA-N
XLogP2.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.52
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-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine (CID 55064154) is 2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine is CCN(CC(F)(F)F)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is UGJMXKIXDQGOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-2-17(8-11(12,13)14)10(15)16-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16).
What are the key properties of 2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 251.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 55064154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).