(Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one

C19H18FNO2 — CID 6382817

IUPAC(Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one
SMILESO=C(/C=C(/c1ccccc1)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-17-8-6-16(7-9-17)19(22)14-18(15-4-2-1-3-5-15)21-10-12-23-13-11-21/h1-9,14H,10-13H2/b18-14-
InChIKeyIIFAOTHGKJNEET-JXAWBTAJSA-N
MW311.36 g/mol
LogP3.38
Rot. Bonds4

About (Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one

(Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one (PubChem CID 6382817) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one
PubChem CID6382817
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one
SMILESO=C(/C=C(/c1ccccc1)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-17-8-6-16(7-9-17)19(22)14-18(15-4-2-1-3-5-15)21-10-12-23-13-11-21/h1-9,14H,10-13H2/b18-14-
InChIKeyIIFAOTHGKJNEET-JXAWBTAJSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.38
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 (Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one (CID 6382817) is (Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one is O=C(/C=C(/c1ccccc1)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one?
The InChIKey is IIFAOTHGKJNEET-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-17-8-6-16(7-9-17)19(22)14-18(15-4-2-1-3-5-15)21-10-12-23-13-11-21/h1-9,14H,10-13H2/b18-14-.
What are the key properties of (Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one?
(Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one has a molecular weight of 311.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one is sourced from PubChem (CID 6382817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).