methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde

C10H16F3NO4 — CID 91155704

IUPACmethyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde
SMILESCOC(=O)C1COC(C)(C)N1C.O=CC(F)(F)F
InChIInChI=1S/C8H15NO3.C2HF3O/c1-8(2)9(3)6(5-12-8)7(10)11-4;3-2(4,5)1-6/h6H,5H2,1-4H3;1H
InChIKeyYWFRIOPTPGYTPZ-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.97
Rot. Bonds1

About methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde

methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde (PubChem CID 91155704) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Namemethyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde
PubChem CID91155704
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Namemethyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde
SMILESCOC(=O)C1COC(C)(C)N1C.O=CC(F)(F)F
InChIInChI=1S/C8H15NO3.C2HF3O/c1-8(2)9(3)6(5-12-8)7(10)11-4;3-2(4,5)1-6/h6H,5H2,1-4H3;1H
InChIKeyYWFRIOPTPGYTPZ-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde?
The IUPAC name of methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde (CID 91155704) is methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde is COC(=O)C1COC(C)(C)N1C.O=CC(F)(F)F.
What is the InChIKey of methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde?
The InChIKey is YWFRIOPTPGYTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.C2HF3O/c1-8(2)9(3)6(5-12-8)7(10)11-4;3-2(4,5)1-6/h6H,5H2,1-4H3;1H.
What are the key properties of methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde?
methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde has a molecular weight of 271.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 91155704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).