(E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one

C20H20FNO2 — CID 110616891

IUPAC(E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one
SMILESC/C(=C\C(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C20H20FNO2/c1-15(16-7-3-2-4-8-16)13-20(23)22-11-12-24-19(14-22)17-9-5-6-10-18(17)21/h2-10,13,19H,11-12,14H2,1H3/b15-13+
InChIKeyQZCQIQJOHVDMEP-FYWRMAATSA-N
MW325.38 g/mol
LogP3.83
Rot. Bonds3

About (E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one

(E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one (PubChem CID 110616891) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is (E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one
PubChem CID110616891
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name(E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one
SMILESC/C(=C\C(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C20H20FNO2/c1-15(16-7-3-2-4-8-16)13-20(23)22-11-12-24-19(14-22)17-9-5-6-10-18(17)21/h2-10,13,19H,11-12,14H2,1H3/b15-13+
InChIKeyQZCQIQJOHVDMEP-FYWRMAATSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one?
The IUPAC name of (E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one (CID 110616891) is (E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one?
The canonical SMILES for (E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one is C/C(=C\C(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1.
What is the InChIKey of (E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one?
The InChIKey is QZCQIQJOHVDMEP-FYWRMAATSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-15(16-7-3-2-4-8-16)13-20(23)22-11-12-24-19(14-22)17-9-5-6-10-18(17)21/h2-10,13,19H,11-12,14H2,1H3/b15-13+.
What are the key properties of (E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one?
(E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one has a molecular weight of 325.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbut-2-en-1-one is sourced from PubChem (CID 110616891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).