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

C6H5F6NO2 — CID 11806655

IUPAC(4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESC[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C6H5F6NO2/c1-2-3(14)15-4(13-2,5(7,8)9)6(10,11)12/h2,13H,1H3/t2-/m0/s1
InChIKeyQGCACAZTPOOTIX-REOHCLBHSA-N
MW237.10 g/mol
LogP1.34
Rot. Bonds

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

(4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (PubChem CID 11806655) has the molecular formula C6H5F6NO2 and a molecular weight of 237.10 g/mol. Its IUPAC name is (4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
PubChem CID11806655
Molecular FormulaC6H5F6NO2
Molecular Weight237.10 g/mol
Exact Mass237.02
IUPAC Name(4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESC[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C6H5F6NO2/c1-2-3(14)15-4(13-2,5(7,8)9)6(10,11)12/h2,13H,1H3/t2-/m0/s1
InChIKeyQGCACAZTPOOTIX-REOHCLBHSA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (CID 11806655) is (4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is C[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O.
What is the InChIKey of (4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The InChIKey is QGCACAZTPOOTIX-REOHCLBHSA-N. The full InChI is InChI=1S/C6H5F6NO2/c1-2-3(14)15-4(13-2,5(7,8)9)6(10,11)12/h2,13H,1H3/t2-/m0/s1.
What are the key properties of (4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
(4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one has a molecular weight of 237.10 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 11806655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).