(E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

C15H16F3NO2 — CID 6447865

IUPAC(E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESCC1COCCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO2/c1-11-10-21-9-8-19(11)14(20)7-4-12-2-5-13(6-3-12)15(16,17)18/h2-7,11H,8-10H2,1H3/b7-4+
InChIKeyHZBAVHZJJXBOCE-QPJJXVBHSA-N
MW299.29 g/mol
LogP2.97
Rot. Bonds2

About (E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

(E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one (PubChem CID 6447865) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is (E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
PubChem CID6447865
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name(E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESCC1COCCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO2/c1-11-10-21-9-8-19(11)14(20)7-4-12-2-5-13(6-3-12)15(16,17)18/h2-7,11H,8-10H2,1H3/b7-4+
InChIKeyHZBAVHZJJXBOCE-QPJJXVBHSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one (CID 6447865) is (E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is CC1COCCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
The InChIKey is HZBAVHZJJXBOCE-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-11-10-21-9-8-19(11)14(20)7-4-12-2-5-13(6-3-12)15(16,17)18/h2-7,11H,8-10H2,1H3/b7-4+.
What are the key properties of (E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
(E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one has a molecular weight of 299.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 6447865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).