4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole

C11H9F2NO — CID 141275538

IUPAC4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole
SMILESCC(F)(F)c1cnoc1-c1ccccc1
InChIInChI=1S/C11H9F2NO/c1-11(12,13)9-7-14-15-10(9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyNLIMQAKZBUDLEW-UHFFFAOYSA-N
MW209.20 g/mol
LogP3.45
Rot. Bonds2

About 4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole

4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole (PubChem CID 141275538) has the molecular formula C11H9F2NO and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole
PubChem CID141275538
Molecular FormulaC11H9F2NO
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole
SMILESCC(F)(F)c1cnoc1-c1ccccc1
InChIInChI=1S/C11H9F2NO/c1-11(12,13)9-7-14-15-10(9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyNLIMQAKZBUDLEW-UHFFFAOYSA-N
XLogP3.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole?
The IUPAC name of 4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole (CID 141275538) is 4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole is CC(F)(F)c1cnoc1-c1ccccc1.
What is the InChIKey of 4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole?
The InChIKey is NLIMQAKZBUDLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO/c1-11(12,13)9-7-14-15-10(9)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole?
4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole has a molecular weight of 209.20 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 141275538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).