4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione

C12H11F3N2O3 — CID 61320008

IUPAC4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione
SMILESNCc1ccc(N2C(=O)COCC2=O)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)8-3-7(4-16)1-2-9(8)17-10(18)5-20-6-11(17)19/h1-3H,4-6,16H2
InChIKeyZWRJOYJLWOLHRN-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.05
Rot. Bonds2

About 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione

4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione (PubChem CID 61320008) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione
PubChem CID61320008
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione
SMILESNCc1ccc(N2C(=O)COCC2=O)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)8-3-7(4-16)1-2-9(8)17-10(18)5-20-6-11(17)19/h1-3H,4-6,16H2
InChIKeyZWRJOYJLWOLHRN-UHFFFAOYSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione?
The IUPAC name of 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione (CID 61320008) is 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione?
The canonical SMILES for 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione is NCc1ccc(N2C(=O)COCC2=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione?
The InChIKey is ZWRJOYJLWOLHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)8-3-7(4-16)1-2-9(8)17-10(18)5-20-6-11(17)19/h1-3H,4-6,16H2.
What are the key properties of 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione?
4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione has a molecular weight of 288.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]morpholine-3,5-dione is sourced from PubChem (CID 61320008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).