[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate

C16H14F3NO4 — CID 2103535

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate
SMILESO=C(COC(=O)COc1cccc2ccccc12)NCC(F)(F)F
InChIInChI=1S/C16H14F3NO4/c17-16(18,19)10-20-14(21)8-24-15(22)9-23-13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,20,21)
InChIKeyJFUPFMZYVQIFFO-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.44
Rot. Bonds6

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate (PubChem CID 2103535) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate
PubChem CID2103535
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate
SMILESO=C(COC(=O)COc1cccc2ccccc12)NCC(F)(F)F
InChIInChI=1S/C16H14F3NO4/c17-16(18,19)10-20-14(21)8-24-15(22)9-23-13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,20,21)
InChIKeyJFUPFMZYVQIFFO-UHFFFAOYSA-N
XLogP2.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate (CID 2103535) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate is O=C(COC(=O)COc1cccc2ccccc12)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate?
The InChIKey is JFUPFMZYVQIFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c17-16(18,19)10-20-14(21)8-24-15(22)9-23-13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,20,21).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate has a molecular weight of 341.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-naphthalen-1-yloxyacetate is sourced from PubChem (CID 2103535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).