5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid

C9H12F3NO4 — CID 102688509

IUPAC5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCC(F)(F)F)O1
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)3-4-13-7(14)5-1-2-6(17-5)8(15)16/h5-6H,1-4H2,(H,13,14)(H,15,16)
InChIKeyHWFSMJUVLWTCFG-UHFFFAOYSA-N
MW255.19 g/mol
LogP0.69
Rot. Bonds4

About 5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid

5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102688509) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102688509
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCC(F)(F)F)O1
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)3-4-13-7(14)5-1-2-6(17-5)8(15)16/h5-6H,1-4H2,(H,13,14)(H,15,16)
InChIKeyHWFSMJUVLWTCFG-UHFFFAOYSA-N
XLogP0.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3,3,3-trifluoropropylcarbamoyl)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-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid (CID 102688509) is 5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NCCC(F)(F)F)O1.
What is the InChIKey of 5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is HWFSMJUVLWTCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4/c10-9(11,12)3-4-13-7(14)5-1-2-6(17-5)8(15)16/h5-6H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of 5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid?
5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 255.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).