2-ethyl-1-(3,4,5-trifluorophenyl)guanidine

C9H10F3N3 — CID 62811946

IUPAC2-ethyl-1-(3,4,5-trifluorophenyl)guanidine
SMILESCC/N=C(\N)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H10F3N3/c1-2-14-9(13)15-5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3,(H3,13,14,15)
InChIKeySGTBKGIOBKXILP-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.85
Rot. Bonds2

About 2-ethyl-1-(3,4,5-trifluorophenyl)guanidine

2-ethyl-1-(3,4,5-trifluorophenyl)guanidine (PubChem CID 62811946) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-ethyl-1-(3,4,5-trifluorophenyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(3,4,5-trifluorophenyl)guanidine
PubChem CID62811946
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name2-ethyl-1-(3,4,5-trifluorophenyl)guanidine
SMILESCC/N=C(\N)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H10F3N3/c1-2-14-9(13)15-5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3,(H3,13,14,15)
InChIKeySGTBKGIOBKXILP-UHFFFAOYSA-N
XLogP1.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-3,4,5-trifluorobenzenecarboximidamide
CID 63181643
1-(3,5-difluorophenyl)-2-propylguanidine
CID 62378719
1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
CID 62381111
1-(3-bromo-5-chlorophenyl)-2-ethylguanidine
CID 130697862
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
CID 130497399
2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276
4-[(N'-ethylcarbamimidoyl)amino]benzamide
CID 62380720
1-phenyl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine;hydroiodide
CID 110017725
2-ethyl-1-(3-fluoro-2-iodophenyl)guanidine
CID 130499719
1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
CID 62381463
1-(4-butan-2-ylphenyl)-2-ethylguanidine
CID 111023947

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3,4,5-trifluorophenyl)guanidine?
The IUPAC name of 2-ethyl-1-(3,4,5-trifluorophenyl)guanidine (CID 62811946) is 2-ethyl-1-(3,4,5-trifluorophenyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(3,4,5-trifluorophenyl)guanidine?
The canonical SMILES for 2-ethyl-1-(3,4,5-trifluorophenyl)guanidine is CC/N=C(\N)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-ethyl-1-(3,4,5-trifluorophenyl)guanidine?
The InChIKey is SGTBKGIOBKXILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-2-14-9(13)15-5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3,(H3,13,14,15).
What are the key properties of 2-ethyl-1-(3,4,5-trifluorophenyl)guanidine?
2-ethyl-1-(3,4,5-trifluorophenyl)guanidine has a molecular weight of 217.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3,4,5-trifluorophenyl)guanidine is sourced from PubChem (CID 62811946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).