[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate

C14H14F3NO4 — CID 78625388

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate
SMILESO=C(COC(=O)C1CCCO1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO4/c15-14(16,17)9-3-5-10(6-4-9)18-12(19)8-22-13(20)11-2-1-7-21-11/h3-6,11H,1-2,7-8H2,(H,18,19)
InChIKeyHFJMVWGAUHJALO-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.37
Rot. Bonds4

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate (PubChem CID 78625388) has the molecular formula C14H14F3NO4 and a molecular weight of 317.26 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate
PubChem CID78625388
Molecular FormulaC14H14F3NO4
Molecular Weight317.26 g/mol
Exact Mass317.09
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate
SMILESO=C(COC(=O)C1CCCO1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO4/c15-14(16,17)9-3-5-10(6-4-9)18-12(19)8-22-13(20)11-2-1-7-21-11/h3-6,11H,1-2,7-8H2,(H,18,19)
InChIKeyHFJMVWGAUHJALO-UHFFFAOYSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8808206
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8951795
[2-(3,5-dichloroanilino)-2-oxoethyl] (2S)-oxolane-2-carboxylate
CID 725051
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate
CID 47004261
2,2,2-trifluoroethyl N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamate
CID 94033220
1-O-tert-butyl 2-O-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908638
[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8808226
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 51921006
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009486
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55640942

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate (CID 78625388) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate is O=C(COC(=O)C1CCCO1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate?
The InChIKey is HFJMVWGAUHJALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO4/c15-14(16,17)9-3-5-10(6-4-9)18-12(19)8-22-13(20)11-2-1-7-21-11/h3-6,11H,1-2,7-8H2,(H,18,19).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate has a molecular weight of 317.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate is sourced from PubChem (CID 78625388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).