1,2-bis(2,4-difluorophenyl)ethane-1,2-dione

C14H6F4O2 — CID 19377173

IUPAC1,2-bis(2,4-difluorophenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C14H6F4O2/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6H
InChIKeyGMRRDQVLRFWXPQ-UHFFFAOYSA-N
MW282.19 g/mol
LogP3.31
Rot. Bonds3

About 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione

1,2-bis(2,4-difluorophenyl)ethane-1,2-dione (PubChem CID 19377173) has the molecular formula C14H6F4O2 and a molecular weight of 282.19 g/mol. Its IUPAC name is 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(2,4-difluorophenyl)ethane-1,2-dione
PubChem CID19377173
Molecular FormulaC14H6F4O2
Molecular Weight282.19 g/mol
Exact Mass282.03
IUPAC Name1,2-bis(2,4-difluorophenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C14H6F4O2/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6H
InChIKeyGMRRDQVLRFWXPQ-UHFFFAOYSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione (CID 19377173) is 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione is O=C(C(=O)c1ccc(F)cc1F)c1ccc(F)cc1F.
What is the InChIKey of 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione?
The InChIKey is GMRRDQVLRFWXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F4O2/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6H.
What are the key properties of 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione?
1,2-bis(2,4-difluorophenyl)ethane-1,2-dione has a molecular weight of 282.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,4-difluorophenyl)ethane-1,2-dione is sourced from PubChem (CID 19377173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).