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

C18H16F3NO2S — CID 56763873

IUPAC(E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)14-5-3-13(4-6-14)16-12-22(9-10-24-16)17(23)8-7-15-2-1-11-25-15/h1-8,11,16H,9-10,12H2/b8-7+
InChIKeyBMIOMWVPXXWUCQ-BQYQJAHWSA-N
MW367.39 g/mol
LogP4.38
Rot. Bonds3

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

(E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one (PubChem CID 56763873) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one
PubChem CID56763873
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name(E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)14-5-3-13(4-6-14)16-12-22(9-10-24-16)17(23)8-7-15-2-1-11-25-15/h1-8,11,16H,9-10,12H2/b8-7+
InChIKeyBMIOMWVPXXWUCQ-BQYQJAHWSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one (CID 56763873) is (E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one is O=C(/C=C/c1cccs1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The InChIKey is BMIOMWVPXXWUCQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c19-18(20,21)14-5-3-13(4-6-14)16-12-22(9-10-24-16)17(23)8-7-15-2-1-11-25-15/h1-8,11,16H,9-10,12H2/b8-7+.
What are the key properties of (E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
(E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one has a molecular weight of 367.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 56763873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).