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

C11H14F3N3 — CID 62361642

IUPAC1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)/C(N)=N/c1ccccc1
InChIInChI=1S/C11H14F3N3/c1-2-17(8-11(12,13)14)10(15)16-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,15,16)
InChIKeyFZAMIWLKTFRQFN-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.52
Rot. Bonds3

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

1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62361642) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62361642
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)/C(N)=N/c1ccccc1
InChIInChI=1S/C11H14F3N3/c1-2-17(8-11(12,13)14)10(15)16-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,15,16)
InChIKeyFZAMIWLKTFRQFN-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 ≤ 500245.25
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 1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62361642) is 1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine is CCN(CC(F)(F)F)/C(N)=N/c1ccccc1.
What is the InChIKey of 1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is FZAMIWLKTFRQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-2-17(8-11(12,13)14)10(15)16-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,15,16).
What are the key properties of 1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine?
1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 245.25 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 1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62361642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).