(Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one

C11H12FNO2S — CID 71740983

IUPAC(Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C(F)=C/c1cccs1)N1CCOCC1
InChIInChI=1S/C11H12FNO2S/c12-10(8-9-2-1-7-16-9)11(14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2/b10-8-
InChIKeyDYYVBZZZAPGXLQ-NTMALXAHSA-N
MW241.29 g/mol
LogP1.92
Rot. Bonds2

About (Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one

(Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 71740983) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is (Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID71740983
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Name(Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C(F)=C/c1cccs1)N1CCOCC1
InChIInChI=1S/C11H12FNO2S/c12-10(8-9-2-1-7-16-9)11(14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2/b10-8-
InChIKeyDYYVBZZZAPGXLQ-NTMALXAHSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.92
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 (Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one (CID 71740983) is (Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one is O=C(/C(F)=C/c1cccs1)N1CCOCC1.
What is the InChIKey of (Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is DYYVBZZZAPGXLQ-NTMALXAHSA-N. The full InChI is InChI=1S/C11H12FNO2S/c12-10(8-9-2-1-7-16-9)11(14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2/b10-8-.
What are the key properties of (Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
(Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 241.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 71740983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).