1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione

C23H17FO2 — CID 2801867

IUPAC1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
SMILESO=C(C=C(CC(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H17FO2/c24-21-13-11-19(12-14-21)23(26)16-20(17-7-3-1-4-8-17)15-22(25)18-9-5-2-6-10-18/h1-14,16H,15H2
InChIKeyFZZCMODMGKYQGD-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.36
Rot. Bonds6

About 1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione

1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione (PubChem CID 2801867) has the molecular formula C23H17FO2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
PubChem CID2801867
Molecular FormulaC23H17FO2
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Name1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
SMILESO=C(C=C(CC(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H17FO2/c24-21-13-11-19(12-14-21)23(26)16-20(17-7-3-1-4-8-17)15-22(25)18-9-5-2-6-10-18/h1-14,16H,15H2
InChIKeyFZZCMODMGKYQGD-UHFFFAOYSA-N
XLogP5.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.36
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

(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione
CID 177497438
1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione
CID 4267792
(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
CID 102206205
(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide
CID 110410017
(E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one
CID 134868095
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
(E)-3-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(2-hydroxyethyl)amino]phenyl]-1,5-diphenylpent-2-ene-1,5-dione
CID 177399996
[(Z)-1-(4-fluorophenyl)-3-oxo-3-phenylprop-1-enyl] thiocyanate
CID 139188060
(Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione
CID 26974088
(4-fluorophenyl)-phenylmethanone
CID 161464622

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione (CID 2801867) is 1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione is O=C(C=C(CC(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione?
The InChIKey is FZZCMODMGKYQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FO2/c24-21-13-11-19(12-14-21)23(26)16-20(17-7-3-1-4-8-17)15-22(25)18-9-5-2-6-10-18/h1-14,16H,15H2.
What are the key properties of 1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione?
1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione has a molecular weight of 344.39 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione is sourced from PubChem (CID 2801867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).