3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one

C13H13ClFNO2 — CID 3638311

IUPAC3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(C=Cc1c(F)cccc1Cl)N1CCOCC1
InChIInChI=1S/C13H13ClFNO2/c14-11-2-1-3-12(15)10(11)4-5-13(17)16-6-8-18-9-7-16/h1-5H,6-9H2
InChIKeyZBPBCLAPYNVEDD-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.35
Rot. Bonds2

About 3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one

3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 3638311) has the molecular formula C13H13ClFNO2 and a molecular weight of 269.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID3638311
Molecular FormulaC13H13ClFNO2
Molecular Weight269.70 g/mol
Exact Mass269.06
IUPAC Name3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(C=Cc1c(F)cccc1Cl)N1CCOCC1
InChIInChI=1S/C13H13ClFNO2/c14-11-2-1-3-12(15)10(11)4-5-13(17)16-6-8-18-9-7-16/h1-5H,6-9H2
InChIKeyZBPBCLAPYNVEDD-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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

3-(2-chloro-6-fluorophenyl)-1-[4-[3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 3433981
(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 2169518
(E)-3-(2-chloro-6-fluorophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 1313172
3-(2-chloro-6-fluorophenyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 79403582
1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one
CID 2780185
(E)-3-(2-chloro-6-fluorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115775080
3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
CID 3713766
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
(2S)-1-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 92924484
2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone
CID 104530689
3-(2-chloro-6-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one
CID 76952471
(E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one
CID 9225925

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 3638311) is 3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one is O=C(C=Cc1c(F)cccc1Cl)N1CCOCC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is ZBPBCLAPYNVEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO2/c14-11-2-1-3-12(15)10(11)4-5-13(17)16-6-8-18-9-7-16/h1-5H,6-9H2.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 269.70 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 3638311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).