(Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione

C24H18F2O2 — CID 26974088

IUPAC(Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione
SMILESC/C(C(=O)c1ccc(F)cc1)=C(\CC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H18F2O2/c1-16(24(28)19-9-13-21(26)14-10-19)22(17-5-3-2-4-6-17)15-23(27)18-7-11-20(25)12-8-18/h2-14H,15H2,1H3/b22-16-
InChIKeyCSUIPIKPSABKFG-JWGURIENSA-N
MW376.40 g/mol
LogP5.89
Rot. Bonds6

About (Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione

(Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione (PubChem CID 26974088) has the molecular formula C24H18F2O2 and a molecular weight of 376.40 g/mol. Its IUPAC name is (Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione.

Molecular Properties

Compound Name(Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione
PubChem CID26974088
Molecular FormulaC24H18F2O2
Molecular Weight376.40 g/mol
Exact Mass376.13
IUPAC Name(Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione
SMILESC/C(C(=O)c1ccc(F)cc1)=C(\CC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H18F2O2/c1-16(24(28)19-9-13-21(26)14-10-19)22(17-5-3-2-4-6-17)15-23(27)18-7-11-20(25)12-8-18/h2-14H,15H2,1H3/b22-16-
InChIKeyCSUIPIKPSABKFG-JWGURIENSA-N
XLogP5.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.40
LogP ≤ 55.89
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

4,4-difluoro-1-(4-methylphenyl)-3-phenylbut-3-en-1-one
CID 132577802
1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
CID 2801867
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
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
erbium;1-phenylbutane-1,3-dione
CID 175058632
(4-fluorophenyl)-phenylmethanone
CID 161464622
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
(Z)-3-methyl-1-phenylpent-3-en-1-one
CID 101075943
2-amino-3-methyl-4-oxo-4-phenylbut-2-enoic acid
CID 173202167

Frequently Asked Questions

What is the IUPAC name of (Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione?
The IUPAC name of (Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione (CID 26974088) is (Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione.
What is the SMILES notation for (Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione?
The canonical SMILES for (Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione is C/C(C(=O)c1ccc(F)cc1)=C(\CC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione?
The InChIKey is CSUIPIKPSABKFG-JWGURIENSA-N. The full InChI is InChI=1S/C24H18F2O2/c1-16(24(28)19-9-13-21(26)14-10-19)22(17-5-3-2-4-6-17)15-23(27)18-7-11-20(25)12-8-18/h2-14H,15H2,1H3/b22-16-.
What are the key properties of (Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione?
(Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione has a molecular weight of 376.40 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,5-bis(4-fluorophenyl)-2-methyl-3-phenylpent-2-ene-1,5-dione is sourced from PubChem (CID 26974088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).