(4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride

C5H8ClF3N2O2 — CID 86731646

IUPAC(4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride
SMILESCl.N[C@@H]1CON(CC(F)(F)F)C1=O
InChIInChI=1S/C5H7F3N2O2.ClH/c6-5(7,8)2-10-4(11)3(9)1-12-10;/h3H,1-2,9H2;1H/t3-;/m1./s1
InChIKeyMKGBZDJQRPOOCF-AENDTGMFSA-N
MW220.58 g/mol
LogP0.07
Rot. Bonds1

About (4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride

(4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride (PubChem CID 86731646) has the molecular formula C5H8ClF3N2O2 and a molecular weight of 220.58 g/mol. Its IUPAC name is (4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride
PubChem CID86731646
Molecular FormulaC5H8ClF3N2O2
Molecular Weight220.58 g/mol
Exact Mass220.02
IUPAC Name(4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride
SMILESCl.N[C@@H]1CON(CC(F)(F)F)C1=O
InChIInChI=1S/C5H7F3N2O2.ClH/c6-5(7,8)2-10-4(11)3(9)1-12-10;/h3H,1-2,9H2;1H/t3-;/m1./s1
InChIKeyMKGBZDJQRPOOCF-AENDTGMFSA-N
XLogP0.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 50.07
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-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride?
The IUPAC name of (4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride (CID 86731646) is (4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride.
What is the SMILES notation for (4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride?
The canonical SMILES for (4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride is Cl.N[C@@H]1CON(CC(F)(F)F)C1=O.
What is the InChIKey of (4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride?
The InChIKey is MKGBZDJQRPOOCF-AENDTGMFSA-N. The full InChI is InChI=1S/C5H7F3N2O2.ClH/c6-5(7,8)2-10-4(11)3(9)1-12-10;/h3H,1-2,9H2;1H/t3-;/m1./s1.
What are the key properties of (4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride?
(4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride has a molecular weight of 220.58 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one;hydrochloride is sourced from PubChem (CID 86731646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).