2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine

C8H10F3N3O — CID 59852201

IUPAC2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine
SMILESCc1cc(CN=C(N)N)c(C(F)(F)F)o1
InChIInChI=1S/C8H10F3N3O/c1-4-2-5(3-14-7(12)13)6(15-4)8(9,10)11/h2H,3H2,1H3,(H4,12,13,14)
InChIKeySZOJLZGOXUFOEI-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.38
Rot. Bonds2

About 2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine

2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine (PubChem CID 59852201) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine.

Molecular Properties

Compound Name2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine
PubChem CID59852201
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine
SMILESCc1cc(CN=C(N)N)c(C(F)(F)F)o1
InChIInChI=1S/C8H10F3N3O/c1-4-2-5(3-14-7(12)13)6(15-4)8(9,10)11/h2H,3H2,1H3,(H4,12,13,14)
InChIKeySZOJLZGOXUFOEI-UHFFFAOYSA-N
XLogP1.38
TPSA77.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine?
The IUPAC name of 2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine (CID 59852201) is 2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine.
What is the SMILES notation for 2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine?
The canonical SMILES for 2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine is Cc1cc(CN=C(N)N)c(C(F)(F)F)o1.
What is the InChIKey of 2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine?
The InChIKey is SZOJLZGOXUFOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4-2-5(3-14-7(12)13)6(15-4)8(9,10)11/h2H,3H2,1H3,(H4,12,13,14).
What are the key properties of 2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine?
2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine has a molecular weight of 221.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine is sourced from PubChem (CID 59852201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).