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

C13H14F3NO2S — CID 90885810

IUPAC1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone
SMILESO=C(CSc1ccccc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)10-3-1-2-4-11(10)20-9-12(18)17-5-7-19-8-6-17/h1-4H,5-9H2
InChIKeyOFBXNPRCCZWJSE-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.66
Rot. Bonds3

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

1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone (PubChem CID 90885810) has the molecular formula C13H14F3NO2S and a molecular weight of 305.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone
PubChem CID90885810
Molecular FormulaC13H14F3NO2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC Name1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone
SMILESO=C(CSc1ccccc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)10-3-1-2-4-11(10)20-9-12(18)17-5-7-19-8-6-17/h1-4H,5-9H2
InChIKeyOFBXNPRCCZWJSE-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone (CID 90885810) is 1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone is O=C(CSc1ccccc1C(F)(F)F)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone?
The InChIKey is OFBXNPRCCZWJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2S/c14-13(15,16)10-3-1-2-4-11(10)20-9-12(18)17-5-7-19-8-6-17/h1-4H,5-9H2.
What are the key properties of 1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone?
1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone has a molecular weight of 305.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]sulfanylethanone is sourced from PubChem (CID 90885810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).