2,5-difluoro-4,5-dihydro-1,3-oxazole

C3H3F2NO — CID 146393080

IUPAC2,5-difluoro-4,5-dihydro-1,3-oxazole
SMILESFC1=NCC(F)O1
InChIInChI=1S/C3H3F2NO/c4-2-1-6-3(5)7-2/h2H,1H2
InChIKeyJCJVOURPARPHTF-UHFFFAOYSA-N
MW107.06 g/mol
LogP0.64
Rot. Bonds

About 2,5-difluoro-4,5-dihydro-1,3-oxazole

2,5-difluoro-4,5-dihydro-1,3-oxazole (PubChem CID 146393080) has the molecular formula C3H3F2NO and a molecular weight of 107.06 g/mol. Its IUPAC name is 2,5-difluoro-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2,5-difluoro-4,5-dihydro-1,3-oxazole
PubChem CID146393080
Molecular FormulaC3H3F2NO
Molecular Weight107.06 g/mol
Exact Mass107.02
IUPAC Name2,5-difluoro-4,5-dihydro-1,3-oxazole
SMILESFC1=NCC(F)O1
InChIInChI=1S/C3H3F2NO/c4-2-1-6-3(5)7-2/h2H,1H2
InChIKeyJCJVOURPARPHTF-UHFFFAOYSA-N
XLogP0.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.06
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2,5-difluoro-4,5-dihydro-1,3-oxazole (CID 146393080) is 2,5-difluoro-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2,5-difluoro-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2,5-difluoro-4,5-dihydro-1,3-oxazole is FC1=NCC(F)O1.
What is the InChIKey of 2,5-difluoro-4,5-dihydro-1,3-oxazole?
The InChIKey is JCJVOURPARPHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F2NO/c4-2-1-6-3(5)7-2/h2H,1H2.
What are the key properties of 2,5-difluoro-4,5-dihydro-1,3-oxazole?
2,5-difluoro-4,5-dihydro-1,3-oxazole has a molecular weight of 107.06 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146393080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).