lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate

C5H5F3LiNO3 — CID 46844833

IUPAClithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
SMILESO=C([O-])[C@@H]1CO[C@@H](C(F)(F)F)N1.[Li+]
InChIInChI=1S/C5H6F3NO3.Li/c6-5(7,8)4-9-2(1-12-4)3(10)11;/h2,4,9H,1H2,(H,10,11);/q;+1/p-1/t2-,4-;/m0./s1
InChIKeyOJEVDGSZLRIVIS-QYEIVYHBSA-M
MW191.03 g/mol
LogP-4.38
Rot. Bonds1

About lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate

lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 46844833) has the molecular formula C5H5F3LiNO3 and a molecular weight of 191.03 g/mol. Its IUPAC name is lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namelithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
PubChem CID46844833
Molecular FormulaC5H5F3LiNO3
Molecular Weight191.03 g/mol
Exact Mass191.04
IUPAC Namelithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
SMILESO=C([O-])[C@@H]1CO[C@@H](C(F)(F)F)N1.[Li+]
InChIInChI=1S/C5H6F3NO3.Li/c6-5(7,8)4-9-2(1-12-4)3(10)11;/h2,4,9H,1H2,(H,10,11);/q;+1/p-1/t2-,4-;/m0./s1
InChIKeyOJEVDGSZLRIVIS-QYEIVYHBSA-M
XLogP-4.38
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 5-4.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate (CID 46844833) is lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate is O=C([O-])[C@@H]1CO[C@@H](C(F)(F)F)N1.[Li+].
What is the InChIKey of lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is OJEVDGSZLRIVIS-QYEIVYHBSA-M. The full InChI is InChI=1S/C5H6F3NO3.Li/c6-5(7,8)4-9-2(1-12-4)3(10)11;/h2,4,9H,1H2,(H,10,11);/q;+1/p-1/t2-,4-;/m0./s1.
What are the key properties of lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 191.03 g/mol, XLogP of -4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 46844833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).