2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone

C19H17F4NO2 — CID 56763872

IUPAC2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H17F4NO2/c20-16-7-1-13(2-8-16)11-18(25)24-9-10-26-17(12-24)14-3-5-15(6-4-14)19(21,22)23/h1-8,17H,9-12H2
InChIKeyOEPYXDKOXQABHM-UHFFFAOYSA-N
MW367.34 g/mol
LogP3.99
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone

2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone (PubChem CID 56763872) has the molecular formula C19H17F4NO2 and a molecular weight of 367.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone
PubChem CID56763872
Molecular FormulaC19H17F4NO2
Molecular Weight367.34 g/mol
Exact Mass367.12
IUPAC Name2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H17F4NO2/c20-16-7-1-13(2-8-16)11-18(25)24-9-10-26-17(12-24)14-3-5-15(6-4-14)19(21,22)23/h1-8,17H,9-12H2
InChIKeyOEPYXDKOXQABHM-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone (CID 56763872) is 2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone?
The InChIKey is OEPYXDKOXQABHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO2/c20-16-7-1-13(2-8-16)11-18(25)24-9-10-26-17(12-24)14-3-5-15(6-4-14)19(21,22)23/h1-8,17H,9-12H2.
What are the key properties of 2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone?
2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone has a molecular weight of 367.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 56763872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).