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

C6H8F3NO3 — CID 46844592

IUPACmethyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CO[C@@H](C(F)(F)F)N1
InChIInChI=1S/C6H8F3NO3/c1-12-4(11)3-2-13-5(10-3)6(7,8)9/h3,5,10H,2H2,1H3/t3-,5-/m0/s1
InChIKeyIQZAFRMVBOVFQL-UCORVYFPSA-N
MW199.13 g/mol
LogP0.04
Rot. Bonds1

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

methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 46844592) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
PubChem CID46844592
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Namemethyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CO[C@@H](C(F)(F)F)N1
InChIInChI=1S/C6H8F3NO3/c1-12-4(11)3-2-13-5(10-3)6(7,8)9/h3,5,10H,2H2,1H3/t3-,5-/m0/s1
InChIKeyIQZAFRMVBOVFQL-UCORVYFPSA-N
XLogP0.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate (CID 46844592) is methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@H]1CO[C@@H](C(F)(F)F)N1.
What is the InChIKey of methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is IQZAFRMVBOVFQL-UCORVYFPSA-N. The full InChI is InChI=1S/C6H8F3NO3/c1-12-4(11)3-2-13-5(10-3)6(7,8)9/h3,5,10H,2H2,1H3/t3-,5-/m0/s1.
What are the key properties of methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate?
methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 199.13 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 46844592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).