4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid

C10H16F3NO4 — CID 66236802

IUPAC4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid
SMILESCN(CCOCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-14(2-3-17-6-10(11,12)13)8-5-18-4-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyIUBIVURJUDWAJL-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.60
Rot. Bonds6

About 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid

4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid (PubChem CID 66236802) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid
PubChem CID66236802
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid
SMILESCN(CCOCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-14(2-3-17-6-10(11,12)13)8-5-18-4-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyIUBIVURJUDWAJL-UHFFFAOYSA-N
XLogP0.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid (CID 66236802) is 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid is CN(CCOCC(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid?
The InChIKey is IUBIVURJUDWAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-14(2-3-17-6-10(11,12)13)8-5-18-4-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).