[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate

C11H10F3NO4 — CID 2624735

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)NCC(F)(F)F
InChIInChI=1S/C11H10F3NO4/c12-11(13,14)6-15-9(17)5-19-10(18)7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H,15,17)
InChIKeyBXFIEQDADNCQRZ-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.23
Rot. Bonds4

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate (PubChem CID 2624735) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate
PubChem CID2624735
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)NCC(F)(F)F
InChIInChI=1S/C11H10F3NO4/c12-11(13,14)6-15-9(17)5-19-10(18)7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H,15,17)
InChIKeyBXFIEQDADNCQRZ-UHFFFAOYSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-acetamidobenzoate
CID 7949725
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-propan-2-yloxybenzoate
CID 2448929
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744242
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-amino-4-chlorobenzoate
CID 2571549
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2445173
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-fluorobenzoate
CID 2455236
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 2447871
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2371049
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 4-iodobenzoate
CID 26734941
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1,3-benzodioxole-5-carboxylate
CID 2556576
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 4-(hydroxymethyl)benzoate
CID 8737123
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 2469053

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate (CID 2624735) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate?
The InChIKey is BXFIEQDADNCQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO4/c12-11(13,14)6-15-9(17)5-19-10(18)7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H,15,17).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-hydroxybenzoate has a molecular weight of 277.20 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 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] 4-hydroxybenzoate is sourced from PubChem (CID 2624735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).