6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole

C11H11F2NO2 — CID 140895641

IUPAC6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
SMILESFc1cccc(C23COCC2CON3)c1F
InChIInChI=1S/C11H11F2NO2/c12-9-3-1-2-8(10(9)13)11-6-15-4-7(11)5-16-14-11/h1-3,7,14H,4-6H2
InChIKeyQYPIFSWIEBYHOP-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.34
Rot. Bonds1

About 6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole

6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole (PubChem CID 140895641) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
PubChem CID140895641
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
SMILESFc1cccc(C23COCC2CON3)c1F
InChIInChI=1S/C11H11F2NO2/c12-9-3-1-2-8(10(9)13)11-6-15-4-7(11)5-16-14-11/h1-3,7,14H,4-6H2
InChIKeyQYPIFSWIEBYHOP-UHFFFAOYSA-N
XLogP1.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
The IUPAC name of 6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole (CID 140895641) is 6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole.
What is the SMILES notation for 6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
The canonical SMILES for 6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole is Fc1cccc(C23COCC2CON3)c1F.
What is the InChIKey of 6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
The InChIKey is QYPIFSWIEBYHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-9-3-1-2-8(10(9)13)11-6-15-4-7(11)5-16-14-11/h1-3,7,14H,4-6H2.
What are the key properties of 6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole has a molecular weight of 227.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(2,3-difluorophenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole is sourced from PubChem (CID 140895641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).