4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid

C13H12F3NO4 — CID 66223311

IUPAC4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3NO4/c14-13(15,16)9-4-2-1-3-7(9)11(18)17-10-6-21-5-8(10)12(19)20/h1-4,8,10H,5-6H2,(H,17,18)(H,19,20)
InChIKeyHNWAKLKQGAUXKQ-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.53
Rot. Bonds3

About 4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid

4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66223311) has the molecular formula C13H12F3NO4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid
PubChem CID66223311
Molecular FormulaC13H12F3NO4
Molecular Weight303.24 g/mol
Exact Mass303.07
IUPAC Name4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3NO4/c14-13(15,16)9-4-2-1-3-7(9)11(18)17-10-6-21-5-8(10)12(19)20/h1-4,8,10H,5-6H2,(H,17,18)(H,19,20)
InChIKeyHNWAKLKQGAUXKQ-UHFFFAOYSA-N
XLogP1.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid (CID 66223311) is 4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is HNWAKLKQGAUXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO4/c14-13(15,16)9-4-2-1-3-7(9)11(18)17-10-6-21-5-8(10)12(19)20/h1-4,8,10H,5-6H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid?
4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 303.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)benzoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66223311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).