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

C13H13ClFNO2 — CID 71740979

IUPAC(Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C(F)=C/c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H13ClFNO2/c14-11-3-1-10(2-4-11)9-12(15)13(17)16-5-7-18-8-6-16/h1-4,9H,5-8H2/b12-9-
InChIKeyTXQCVMSMSZEMOA-XFXZXTDPSA-N
MW269.70 g/mol
LogP2.51
Rot. Bonds2

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

(Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 71740979) has the molecular formula C13H13ClFNO2 and a molecular weight of 269.70 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one
PubChem CID71740979
Molecular FormulaC13H13ClFNO2
Molecular Weight269.70 g/mol
Exact Mass269.06
IUPAC Name(Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C(F)=C/c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H13ClFNO2/c14-11-3-1-10(2-4-11)9-12(15)13(17)16-5-7-18-8-6-16/h1-4,9H,5-8H2/b12-9-
InChIKeyTXQCVMSMSZEMOA-XFXZXTDPSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.51
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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Related Compounds

Morpholine, 4-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-
CID 692386
4-(1-Oxo-3-phenylallyl)morpholine
CID 691098
Morpholine, 4-(3-(3,4-dichlorophenyl)-1-oxo-2-propenyl)-
CID 898470
Piperidine, 1-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-
CID 692385
4-[3-(2,6-Dichlorophenyl)acryloyl]morpholine
CID 887263
4-(3-(4-Fluorophenyl)-2-propenoyl)morpholine
CID 923524
(2E)-3-(6-chloro-2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 6087869
3-(4-Chloro-phenyl)-N-(2-morpholin-4-yl-ethyl)-acrylamide
CID 784772
(2E)-3-(2-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 5731106
3-(4-Chloro-phenyl)-1-(4-methyl-piperazin-1-yl)-propenone
CID 809660
3-(3-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]acrylamide
CID 896279
1-[3-(4-Chlorophenyl)acryloyl]-4-methylpiperazine
CID 2053897

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one (CID 71740979) is (Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one is O=C(/C(F)=C/c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is TXQCVMSMSZEMOA-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H13ClFNO2/c14-11-3-1-10(2-4-11)9-12(15)13(17)16-5-7-18-8-6-16/h1-4,9H,5-8H2/b12-9-.
What are the key properties of (Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one?
(Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 269.70 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-2-fluoro-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 71740979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).