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

C19H17F4NO2S — CID 56763888

IUPAC2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H17F4NO2S/c20-15-5-7-16(8-6-15)27-12-18(25)24-9-10-26-17(11-24)13-1-3-14(4-2-13)19(21,22)23/h1-8,17H,9-12H2
InChIKeyCEUPSDKHVDUODP-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.54
Rot. Bonds4

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

2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone (PubChem CID 56763888) has the molecular formula C19H17F4NO2S and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone
PubChem CID56763888
Molecular FormulaC19H17F4NO2S
Molecular Weight399.41 g/mol
Exact Mass399.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H17F4NO2S/c20-15-5-7-16(8-6-15)27-12-18(25)24-9-10-26-17(11-24)13-1-3-14(4-2-13)19(21,22)23/h1-8,17H,9-12H2
InChIKeyCEUPSDKHVDUODP-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone (CID 56763888) is 2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone is O=C(CSc1ccc(F)cc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone?
The InChIKey is CEUPSDKHVDUODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO2S/c20-15-5-7-16(8-6-15)27-12-18(25)24-9-10-26-17(11-24)13-1-3-14(4-2-13)19(21,22)23/h1-8,17H,9-12H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone?
2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone has a molecular weight of 399.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 56763888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).