4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid

C14H16F3NO3 — CID 66246049

IUPAC4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid
SMILESCCN(c1ccccc1C(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C14H16F3NO3/c1-2-18(12-8-21-7-9(12)13(19)20)11-6-4-3-5-10(11)14(15,16)17/h3-6,9,12H,2,7-8H2,1H3,(H,19,20)
InChIKeyZRJSOQWFZYYZFO-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.63
Rot. Bonds4

About 4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid

4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid (PubChem CID 66246049) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid
PubChem CID66246049
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid
SMILESCCN(c1ccccc1C(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C14H16F3NO3/c1-2-18(12-8-21-7-9(12)13(19)20)11-6-4-3-5-10(11)14(15,16)17/h3-6,9,12H,2,7-8H2,1H3,(H,19,20)
InChIKeyZRJSOQWFZYYZFO-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66247641
4-[(2,2-difluoro-2-phenylethyl)-methylamino]oxolane-3-carboxylic acid
CID 116789972
4-(2-chloro-N-ethyl-4-nitroanilino)oxolane-3-carboxylic acid
CID 66245660
4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid
CID 66247310
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016
4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66245238
4-(N-ethyl-4-nitroanilino)oxolane-3-carboxylic acid
CID 66245464
4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid
CID 66247052
4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246238
4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246649
4-[(3-cyano-2,6-dimethyl-4-pyridinyl)-ethylamino]oxolane-3-carboxylic acid
CID 81060905
4-[ethyl(thian-4-yl)amino]oxolane-3-carboxylic acid
CID 66245719

Frequently Asked Questions

What is the IUPAC name of 4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid (CID 66246049) is 4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid is CCN(c1ccccc1C(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid?
The InChIKey is ZRJSOQWFZYYZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-2-18(12-8-21-7-9(12)13(19)20)11-6-4-3-5-10(11)14(15,16)17/h3-6,9,12H,2,7-8H2,1H3,(H,19,20).
What are the key properties of 4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid?
4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid has a molecular weight of 303.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).