2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione

C10H6F4N4O2 — CID 59222797

IUPAC2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione
SMILESO=C(n1ccnc1)C(F)(F)C(F)(F)C(=O)n1ccnc1
InChIInChI=1S/C10H6F4N4O2/c11-9(12,7(19)17-3-1-15-5-17)10(13,14)8(20)18-4-2-16-6-18/h1-6H
InChIKeyJAOCMHJWEPBOFG-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.33
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione

2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione (PubChem CID 59222797) has the molecular formula C10H6F4N4O2 and a molecular weight of 290.18 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione
PubChem CID59222797
Molecular FormulaC10H6F4N4O2
Molecular Weight290.18 g/mol
Exact Mass290.04
IUPAC Name2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione
SMILESO=C(n1ccnc1)C(F)(F)C(F)(F)C(=O)n1ccnc1
InChIInChI=1S/C10H6F4N4O2/c11-9(12,7(19)17-3-1-15-5-17)10(13,14)8(20)18-4-2-16-6-18/h1-6H
InChIKeyJAOCMHJWEPBOFG-UHFFFAOYSA-N
XLogP1.33
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(Heptafluorobutyryl)imidazole
CID 94431
1-(2,2,3,3,3-Pentafluoro-1-oxopropyl)-1H-imidazole
CID 100821
1-(4-Imidazol-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 15065548
1,1'-Oxalyldiimidazole
CID 100439
2,2,3,3-tetrafluoro-N,N'-bis[3-(1H-imidazol-1-yl)propyl]succinamide
CID 2932359
1-Ethenyl-3-methylimidazol-3-ium;1-ethenylpyrrolidin-2-one;chloride
CID 163647
N-vinylimidazole N-vinylpyrrolidinone
CID 21583951
2,2-Difluoro-1-imidazol-1-ylpropan-1-one
CID 58341600
4-(2,2-difluorovinyl)-1-(1H-imidazol-1-ylmethyl)pyrrolidin-2-one
CID 11253149
4-(Difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one
CID 67394251
(1H-imidazol-1-yl)(1-(trifluoromethyl)cyclopropyl)methanone
CID 121435422
2,2-Difluoro-1-imidazol-1-yl-3-methylbutan-1-one
CID 130327690

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione?
The IUPAC name of 2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione (CID 59222797) is 2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione?
The canonical SMILES for 2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione is O=C(n1ccnc1)C(F)(F)C(F)(F)C(=O)n1ccnc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione?
The InChIKey is JAOCMHJWEPBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N4O2/c11-9(12,7(19)17-3-1-15-5-17)10(13,14)8(20)18-4-2-16-6-18/h1-6H.
What are the key properties of 2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione?
2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione has a molecular weight of 290.18 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1,4-di(imidazol-1-yl)butane-1,4-dione is sourced from PubChem (CID 59222797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).