1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione

C16H10F2O2 — CID 520221

IUPAC1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione
SMILESO=C(C=CC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H10F2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-10H
InChIKeyOXUZAAMYHTYRBZ-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.59
Rot. Bonds4

About 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione

1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione (PubChem CID 520221) has the molecular formula C16H10F2O2 and a molecular weight of 272.25 g/mol. Its IUPAC name is 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione.

Molecular Properties

Compound Name1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione
PubChem CID520221
Molecular FormulaC16H10F2O2
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione
SMILESO=C(C=CC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H10F2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-10H
InChIKeyOXUZAAMYHTYRBZ-UHFFFAOYSA-N
XLogP3.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione?
The IUPAC name of 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione (CID 520221) is 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione.
What is the SMILES notation for 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione?
The canonical SMILES for 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione is O=C(C=CC(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione?
The InChIKey is OXUZAAMYHTYRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-10H.
What are the key properties of 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione?
1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione has a molecular weight of 272.25 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione is sourced from PubChem (CID 520221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).