5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid

C10H14F3NO5 — CID 102688545

IUPAC5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCOCC(F)(F)F)O1
InChIInChI=1S/C10H14F3NO5/c11-10(12,13)5-18-4-3-14-8(15)6-1-2-7(19-6)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)
InChIKeyBHLUEHPQNSFDGW-UHFFFAOYSA-N
MW285.22 g/mol
LogP0.31
Rot. Bonds6

About 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid

5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688545) has the molecular formula C10H14F3NO5 and a molecular weight of 285.22 g/mol. Its IUPAC name is 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102688545
Molecular FormulaC10H14F3NO5
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Name5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCOCC(F)(F)F)O1
InChIInChI=1S/C10H14F3NO5/c11-10(12,13)5-18-4-3-14-8(15)6-1-2-7(19-6)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)
InChIKeyBHLUEHPQNSFDGW-UHFFFAOYSA-N
XLogP0.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid (CID 102688545) is 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NCCOCC(F)(F)F)O1.
What is the InChIKey of 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is BHLUEHPQNSFDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO5/c11-10(12,13)5-18-4-3-14-8(15)6-1-2-7(19-6)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17).
What are the key properties of 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).