(4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one

C5H8F2N2O2 — CID 87323898

IUPAC(4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one
SMILESN[C@@H]1CON(CC(F)F)C1=O
InChIInChI=1S/C5H8F2N2O2/c6-4(7)1-9-5(10)3(8)2-11-9/h3-4H,1-2,8H2/t3-/m1/s1
InChIKeyUFNQTDWTLSCSDF-GSVOUGTGSA-N
MW166.13 g/mol
LogP-0.65
Rot. Bonds2

About (4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one

(4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one (PubChem CID 87323898) has the molecular formula C5H8F2N2O2 and a molecular weight of 166.13 g/mol. Its IUPAC name is (4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name(4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one
PubChem CID87323898
Molecular FormulaC5H8F2N2O2
Molecular Weight166.13 g/mol
Exact Mass166.06
IUPAC Name(4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one
SMILESN[C@@H]1CON(CC(F)F)C1=O
InChIInChI=1S/C5H8F2N2O2/c6-4(7)1-9-5(10)3(8)2-11-9/h3-4H,1-2,8H2/t3-/m1/s1
InChIKeyUFNQTDWTLSCSDF-GSVOUGTGSA-N
XLogP-0.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one?
The IUPAC name of (4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one (CID 87323898) is (4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for (4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one?
The canonical SMILES for (4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one is N[C@@H]1CON(CC(F)F)C1=O.
What is the InChIKey of (4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one?
The InChIKey is UFNQTDWTLSCSDF-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8F2N2O2/c6-4(7)1-9-5(10)3(8)2-11-9/h3-4H,1-2,8H2/t3-/m1/s1.
What are the key properties of (4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one?
(4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one has a molecular weight of 166.13 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2-(2,2-difluoroethyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 87323898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).