2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione

C22H14ClFO2 — CID 1337308

IUPAC2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(Cc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClFO2/c23-16-9-7-15(8-10-16)22(13-14-5-11-17(24)12-6-14)20(25)18-3-1-2-4-19(18)21(22)26/h1-12H,13H2
InChIKeyOPZFKWAMQUYQGF-UHFFFAOYSA-N
MW364.80 g/mol
LogP5.04
Rot. Bonds3

About 2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione

2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione (PubChem CID 1337308) has the molecular formula C22H14ClFO2 and a molecular weight of 364.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione
PubChem CID1337308
Molecular FormulaC22H14ClFO2
Molecular Weight364.80 g/mol
Exact Mass364.07
IUPAC Name2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(Cc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClFO2/c23-16-9-7-15(8-10-16)22(13-14-5-11-17(24)12-6-14)20(25)18-3-1-2-4-19(18)21(22)26/h1-12H,13H2
InChIKeyOPZFKWAMQUYQGF-UHFFFAOYSA-N
XLogP5.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.80
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione?
The IUPAC name of 2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione (CID 1337308) is 2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione is O=C1c2ccccc2C(=O)C1(Cc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione?
The InChIKey is OPZFKWAMQUYQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFO2/c23-16-9-7-15(8-10-16)22(13-14-5-11-17(24)12-6-14)20(25)18-3-1-2-4-19(18)21(22)26/h1-12H,13H2.
What are the key properties of 2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione?
2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione has a molecular weight of 364.80 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione is sourced from PubChem (CID 1337308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).