(3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione

C24H24F2O2 — CID 91999056

IUPAC(3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione
SMILESC/C(=C\CC/C=C(\C)CC(=O)c1ccc(F)cc1)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24F2O2/c1-17(15-23(27)19-7-11-21(25)12-8-19)5-3-4-6-18(2)16-24(28)20-9-13-22(26)14-10-20/h5-14H,3-4,15-16H2,1-2H3/b17-5+,18-6+
InChIKeyYELLFSZANPQNOM-QJZPKIEXSA-N
MW382.45 g/mol
LogP6.48
Rot. Bonds9

About (3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione

(3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione (PubChem CID 91999056) has the molecular formula C24H24F2O2 and a molecular weight of 382.45 g/mol. Its IUPAC name is (3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione.

Molecular Properties

Compound Name(3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione
PubChem CID91999056
Molecular FormulaC24H24F2O2
Molecular Weight382.45 g/mol
Exact Mass382.17
IUPAC Name(3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione
SMILESC/C(=C\CC/C=C(\C)CC(=O)c1ccc(F)cc1)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24F2O2/c1-17(15-23(27)19-7-11-21(25)12-8-19)5-3-4-6-18(2)16-24(28)20-9-13-22(26)14-10-20/h5-14H,3-4,15-16H2,1-2H3/b17-5+,18-6+
InChIKeyYELLFSZANPQNOM-QJZPKIEXSA-N
XLogP6.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione?
The IUPAC name of (3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione (CID 91999056) is (3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione.
What is the SMILES notation for (3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione?
The canonical SMILES for (3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione is C/C(=C\CC/C=C(\C)CC(=O)c1ccc(F)cc1)CC(=O)c1ccc(F)cc1.
What is the InChIKey of (3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione?
The InChIKey is YELLFSZANPQNOM-QJZPKIEXSA-N. The full InChI is InChI=1S/C24H24F2O2/c1-17(15-23(27)19-7-11-21(25)12-8-19)5-3-4-6-18(2)16-24(28)20-9-13-22(26)14-10-20/h5-14H,3-4,15-16H2,1-2H3/b17-5+,18-6+.
What are the key properties of (3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione?
(3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione has a molecular weight of 382.45 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-1,10-bis(4-fluorophenyl)-3,8-dimethyldeca-3,7-diene-1,10-dione is sourced from PubChem (CID 91999056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).