5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole

C10H5F4NO — CID 116861916

IUPAC5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole
SMILESFc1ccccc1-c1cc(C(F)(F)F)no1
InChIInChI=1S/C10H5F4NO/c11-7-4-2-1-3-6(7)8-5-9(15-16-8)10(12,13)14/h1-5H
InChIKeyAQBAWMOOIOUMLF-UHFFFAOYSA-N
MW231.15 g/mol
LogP3.50
Rot. Bonds1

About 5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole

5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 116861916) has the molecular formula C10H5F4NO and a molecular weight of 231.15 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole
PubChem CID116861916
Molecular FormulaC10H5F4NO
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole
SMILESFc1ccccc1-c1cc(C(F)(F)F)no1
InChIInChI=1S/C10H5F4NO/c11-7-4-2-1-3-6(7)8-5-9(15-16-8)10(12,13)14/h1-5H
InChIKeyAQBAWMOOIOUMLF-UHFFFAOYSA-N
XLogP3.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole (CID 116861916) is 5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole is Fc1ccccc1-c1cc(C(F)(F)F)no1.
What is the InChIKey of 5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is AQBAWMOOIOUMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO/c11-7-4-2-1-3-6(7)8-5-9(15-16-8)10(12,13)14/h1-5H.
What are the key properties of 5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole?
5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 231.15 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 116861916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).