2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole

C10H5F3N2O3S — CID 133381798

IUPAC2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESO=[N+]([O-])c1cccc(Oc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C10H5F3N2O3S/c11-10(12,13)8-5-19-9(14-8)18-7-3-1-2-6(4-7)15(16)17/h1-5H
InChIKeyCGDWYOKOGAGFOG-UHFFFAOYSA-N
MW290.22 g/mol
LogP3.86
Rot. Bonds3

About 2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole

2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133381798) has the molecular formula C10H5F3N2O3S and a molecular weight of 290.22 g/mol. Its IUPAC name is 2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133381798
Molecular FormulaC10H5F3N2O3S
Molecular Weight290.22 g/mol
Exact Mass290.00
IUPAC Name2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESO=[N+]([O-])c1cccc(Oc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C10H5F3N2O3S/c11-10(12,13)8-5-19-9(14-8)18-7-3-1-2-6(4-7)15(16)17/h1-5H
InChIKeyCGDWYOKOGAGFOG-UHFFFAOYSA-N
XLogP3.86
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole (CID 133381798) is 2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole is O=[N+]([O-])c1cccc(Oc2nc(C(F)(F)F)cs2)c1.
What is the InChIKey of 2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CGDWYOKOGAGFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3S/c11-10(12,13)8-5-19-9(14-8)18-7-3-1-2-6(4-7)15(16)17/h1-5H.
What are the key properties of 2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 290.22 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133381798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).