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

C20H18F3NO2 — CID 56763871

IUPAC(E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H18F3NO2/c21-20(22,23)17-9-7-16(8-10-17)18-14-24(12-13-26-18)19(25)11-6-15-4-2-1-3-5-15/h1-11,18H,12-14H2/b11-6+
InChIKeyQBAARDMWPGVHCT-IZZDOVSWSA-N
MW361.36 g/mol
LogP4.32
Rot. Bonds3

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

(E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one (PubChem CID 56763871) has the molecular formula C20H18F3NO2 and a molecular weight of 361.36 g/mol. Its IUPAC name is (E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one
PubChem CID56763871
Molecular FormulaC20H18F3NO2
Molecular Weight361.36 g/mol
Exact Mass361.13
IUPAC Name(E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H18F3NO2/c21-20(22,23)17-9-7-16(8-10-17)18-14-24(12-13-26-18)19(25)11-6-15-4-2-1-3-5-15/h1-11,18H,12-14H2/b11-6+
InChIKeyQBAARDMWPGVHCT-IZZDOVSWSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.32
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)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one (CID 56763871) is (E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The InChIKey is QBAARDMWPGVHCT-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H18F3NO2/c21-20(22,23)17-9-7-16(8-10-17)18-14-24(12-13-26-18)19(25)11-6-15-4-2-1-3-5-15/h1-11,18H,12-14H2/b11-6+.
What are the key properties of (E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
(E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one has a molecular weight of 361.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 56763871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).