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

C4H5F2NO2 — CID 67260106

IUPAC3-(difluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(F)F
InChIInChI=1S/C4H5F2NO2/c5-3(6)7-1-2-9-4(7)8/h3H,1-2H2
InChIKeyYSHNOJFNNBBDFR-UHFFFAOYSA-N
MW137.09 g/mol
LogP0.66
Rot. Bonds1

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

3-(difluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 67260106) has the molecular formula C4H5F2NO2 and a molecular weight of 137.09 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1,3-oxazolidin-2-one
PubChem CID67260106
Molecular FormulaC4H5F2NO2
Molecular Weight137.09 g/mol
Exact Mass137.03
IUPAC Name3-(difluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(F)F
InChIInChI=1S/C4H5F2NO2/c5-3(6)7-1-2-9-4(7)8/h3H,1-2H2
InChIKeyYSHNOJFNNBBDFR-UHFFFAOYSA-N
XLogP0.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.09
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(difluoromethyl)-1,3-oxazolidin-2-one (CID 67260106) is 3-(difluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(difluoromethyl)-1,3-oxazolidin-2-one is O=C1OCCN1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is YSHNOJFNNBBDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO2/c5-3(6)7-1-2-9-4(7)8/h3H,1-2H2.
What are the key properties of 3-(difluoromethyl)-1,3-oxazolidin-2-one?
3-(difluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 137.09 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67260106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).