(4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one

C5H6F3NO2 — CID 58320719

IUPAC(4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one
SMILESCC1NOC(=O)[C@@H]1C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c1-2-3(5(6,7)8)4(10)11-9-2/h2-3,9H,1H3/t2?,3-/m1/s1
InChIKeyALXJLGQPZFZUTG-ZJRLKYRESA-N
MW169.10 g/mol
LogP0.61
Rot. Bonds

About (4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one

(4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one (PubChem CID 58320719) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is (4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one
PubChem CID58320719
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name(4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one
SMILESCC1NOC(=O)[C@@H]1C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c1-2-3(5(6,7)8)4(10)11-9-2/h2-3,9H,1H3/t2?,3-/m1/s1
InChIKeyALXJLGQPZFZUTG-ZJRLKYRESA-N
XLogP0.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one?
The IUPAC name of (4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one (CID 58320719) is (4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one.
What is the SMILES notation for (4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one?
The canonical SMILES for (4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one is CC1NOC(=O)[C@@H]1C(F)(F)F.
What is the InChIKey of (4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one?
The InChIKey is ALXJLGQPZFZUTG-ZJRLKYRESA-N. The full InChI is InChI=1S/C5H6F3NO2/c1-2-3(5(6,7)8)4(10)11-9-2/h2-3,9H,1H3/t2?,3-/m1/s1.
What are the key properties of (4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one?
(4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one has a molecular weight of 169.10 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one is sourced from PubChem (CID 58320719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).