5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one

C5H7F2NO3 — CID 54224687

IUPAC5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(C(F)(F)CO)O1
InChIInChI=1S/C5H7F2NO3/c6-5(7,2-9)3-1-8-4(10)11-3/h3,9H,1-2H2,(H,8,10)
InChIKeyQFALCFRUEYUJQL-UHFFFAOYSA-N
MW167.11 g/mol
LogP-0.28
Rot. Bonds2

About 5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one

5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one (PubChem CID 54224687) has the molecular formula C5H7F2NO3 and a molecular weight of 167.11 g/mol. Its IUPAC name is 5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one
PubChem CID54224687
Molecular FormulaC5H7F2NO3
Molecular Weight167.11 g/mol
Exact Mass167.04
IUPAC Name5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(C(F)(F)CO)O1
InChIInChI=1S/C5H7F2NO3/c6-5(7,2-9)3-1-8-4(10)11-3/h3,9H,1-2H2,(H,8,10)
InChIKeyQFALCFRUEYUJQL-UHFFFAOYSA-N
XLogP-0.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one (CID 54224687) is 5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one is O=C1NCC(C(F)(F)CO)O1.
What is the InChIKey of 5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is QFALCFRUEYUJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO3/c6-5(7,2-9)3-1-8-4(10)11-3/h3,9H,1-2H2,(H,8,10).
What are the key properties of 5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one?
5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one has a molecular weight of 167.11 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-2-hydroxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 54224687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).