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

C11H10F3NO — CID 132942085

IUPAC3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)7-9-6-10(15-16-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyHCMMLBRSXCATLT-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.13
Rot. Bonds2

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

3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 132942085) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
PubChem CID132942085
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)7-9-6-10(15-16-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyHCMMLBRSXCATLT-UHFFFAOYSA-N
XLogP3.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole (CID 132942085) is 3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole is FC(F)(F)CC1CC(c2ccccc2)=NO1.
What is the InChIKey of 3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is HCMMLBRSXCATLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)7-9-6-10(15-16-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 229.20 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 132942085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).