2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole

C11H9F4NO — CID 134938641

IUPAC2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2=NCC(CC(F)(F)F)O2)cc1
InChIInChI=1S/C11H9F4NO/c12-8-3-1-7(2-4-8)10-16-6-9(17-10)5-11(13,14)15/h1-4,9H,5-6H2
InChIKeyLZUQZVMTXGTPKN-UHFFFAOYSA-N
MW247.19 g/mol
LogP2.92
Rot. Bonds2

About 2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole

2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 134938641) has the molecular formula C11H9F4NO and a molecular weight of 247.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
PubChem CID134938641
Molecular FormulaC11H9F4NO
Molecular Weight247.19 g/mol
Exact Mass247.06
IUPAC Name2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2=NCC(CC(F)(F)F)O2)cc1
InChIInChI=1S/C11H9F4NO/c12-8-3-1-7(2-4-8)10-16-6-9(17-10)5-11(13,14)15/h1-4,9H,5-6H2
InChIKeyLZUQZVMTXGTPKN-UHFFFAOYSA-N
XLogP2.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
2-Phenyl-2-oxazoline
CID 244030
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
Mls002667700
CID 244135
2-(4-Methylphenyl)oxazoline
CID 3770227
2-(4-Propylphenyl)-4,5-dihydro-1,3-oxazole
CID 12793312
2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 2725909
2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
2-Phenyl-4,5,6,7-tetrahydro-1,3-oxazepine
CID 25213916

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole (CID 134938641) is 2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole is Fc1ccc(C2=NCC(CC(F)(F)F)O2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is LZUQZVMTXGTPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO/c12-8-3-1-7(2-4-8)10-16-6-9(17-10)5-11(13,14)15/h1-4,9H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 247.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134938641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).