3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole

C11H8F2N2O — CID 83849787

IUPAC3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
SMILESFc1cccc(F)c1-c1onc2c1CNC2
InChIInChI=1S/C11H8F2N2O/c12-7-2-1-3-8(13)10(7)11-6-4-14-5-9(6)15-16-11/h1-3,14H,4-5H2
InChIKeyWDBJZMJUNGXQEB-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.22
Rot. Bonds1

About 3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole

3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole (PubChem CID 83849787) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
PubChem CID83849787
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
SMILESFc1cccc(F)c1-c1onc2c1CNC2
InChIInChI=1S/C11H8F2N2O/c12-7-2-1-3-8(13)10(7)11-6-4-14-5-9(6)15-16-11/h1-3,14H,4-5H2
InChIKeyWDBJZMJUNGXQEB-UHFFFAOYSA-N
XLogP2.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The IUPAC name of 3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole (CID 83849787) is 3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole.
What is the SMILES notation for 3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The canonical SMILES for 3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole is Fc1cccc(F)c1-c1onc2c1CNC2.
What is the InChIKey of 3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The InChIKey is WDBJZMJUNGXQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-7-2-1-3-8(13)10(7)11-6-4-14-5-9(6)15-16-11/h1-3,14H,4-5H2.
What are the key properties of 3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole has a molecular weight of 222.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole is sourced from PubChem (CID 83849787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).