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

C6H8F3NO2 — CID 129409253

IUPAC(4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
SMILESC[C@@]1(CC(F)(F)F)COC(=O)N1
InChIInChI=1S/C6H8F3NO2/c1-5(2-6(7,8)9)3-12-4(11)10-5/h2-3H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyRKUJFWVINIUETP-RXMQYKEDSA-N
MW183.13 g/mol
LogP1.44
Rot. Bonds1

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

(4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one (PubChem CID 129409253) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is (4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
PubChem CID129409253
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name(4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
SMILESC[C@@]1(CC(F)(F)F)COC(=O)N1
InChIInChI=1S/C6H8F3NO2/c1-5(2-6(7,8)9)3-12-4(11)10-5/h2-3H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyRKUJFWVINIUETP-RXMQYKEDSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one (CID 129409253) is (4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one is C[C@@]1(CC(F)(F)F)COC(=O)N1.
What is the InChIKey of (4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The InChIKey is RKUJFWVINIUETP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-5(2-6(7,8)9)3-12-4(11)10-5/h2-3H2,1H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
(4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one has a molecular weight of 183.13 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 129409253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).