1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole

C8H7F3N2O — CID 174593433

IUPAC1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole
SMILESFC(F)(F)N1C=CN(c2ccoc2)C1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)13-3-2-12(6-13)7-1-4-14-5-7/h1-5H,6H2
InChIKeyYBUZOUOUEREPJM-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.35
Rot. Bonds1

About 1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole

1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole (PubChem CID 174593433) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole.

Molecular Properties

Compound Name1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole
PubChem CID174593433
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole
SMILESFC(F)(F)N1C=CN(c2ccoc2)C1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)13-3-2-12(6-13)7-1-4-14-5-7/h1-5H,6H2
InChIKeyYBUZOUOUEREPJM-UHFFFAOYSA-N
XLogP2.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Ammonium, (3-furyl)trimethyl-, iodide
CID 199990
1-(Furan-3-yl)-4-(trifluoromethyl)pyrimidin-2-one
CID 178338463
4-(Furan-3-yl)morpholine
CID 12009355
Furan-3-yl(trimethyl)azanium
CID 199991
1-(Furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 23326919
3-(Furan-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 53990180
3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 54345271
5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione
CID 66697579
5-Fluoro-1-(furan-3-yl)pyrimidine-2,4-dione
CID 69626237
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
4,4-Difluoro-1-(furan-3-yl)piperidine
CID 175988490
N,N-diethylfuran-3-amine
CID 12009356

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole?
The IUPAC name of 1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole (CID 174593433) is 1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole.
What is the SMILES notation for 1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole?
The canonical SMILES for 1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole is FC(F)(F)N1C=CN(c2ccoc2)C1.
What is the InChIKey of 1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole?
The InChIKey is YBUZOUOUEREPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)13-3-2-12(6-13)7-1-4-14-5-7/h1-5H,6H2.
What are the key properties of 1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole?
1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole has a molecular weight of 204.15 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole is sourced from PubChem (CID 174593433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).