5-(difluoromethyl)-1,3-oxazolidin-2-one

C4H5F2NO2 — CID 67519293

IUPAC5-(difluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(C(F)F)O1
InChIInChI=1S/C4H5F2NO2/c5-3(6)2-1-7-4(8)9-2/h2-3H,1H2,(H,7,8)
InChIKeyZLHFNVHHLCRGQJ-UHFFFAOYSA-N
MW137.08 g/mol
LogP0.36
Rot. Bonds1

About 5-(difluoromethyl)-1,3-oxazolidin-2-one

5-(difluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 67519293) has the molecular formula C4H5F2NO2 and a molecular weight of 137.08 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-1,3-oxazolidin-2-one
PubChem CID67519293
Molecular FormulaC4H5F2NO2
Molecular Weight137.08 g/mol
Exact Mass137.03
IUPAC Name5-(difluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(C(F)F)O1
InChIInChI=1S/C4H5F2NO2/c5-3(6)2-1-7-4(8)9-2/h2-3H,1H2,(H,7,8)
InChIKeyZLHFNVHHLCRGQJ-UHFFFAOYSA-N
XLogP0.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.08
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(difluoromethyl)-1,3-oxazolidin-2-one (CID 67519293) is 5-(difluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(difluoromethyl)-1,3-oxazolidin-2-one is O=C1NCC(C(F)F)O1.
What is the InChIKey of 5-(difluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is ZLHFNVHHLCRGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO2/c5-3(6)2-1-7-4(8)9-2/h2-3H,1H2,(H,7,8).
What are the key properties of 5-(difluoromethyl)-1,3-oxazolidin-2-one?
5-(difluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 137.08 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67519293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).