3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride

C15H8F2O3 — CID 155435077

IUPAC3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride
SMILESO=C(F)c1cccc(C(=O)c2cccc(C(=O)F)c2)c1
InChIInChI=1S/C15H8F2O3/c16-14(19)11-5-1-3-9(7-11)13(18)10-4-2-6-12(8-10)15(17)20/h1-8H
InChIKeyBWIBRYSISKHNCM-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.14
Rot. Bonds4

About 3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride

3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride (PubChem CID 155435077) has the molecular formula C15H8F2O3 and a molecular weight of 274.22 g/mol. Its IUPAC name is 3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride.

Molecular Properties

Compound Name3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride
PubChem CID155435077
Molecular FormulaC15H8F2O3
Molecular Weight274.22 g/mol
Exact Mass274.04
IUPAC Name3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride
SMILESO=C(F)c1cccc(C(=O)c2cccc(C(=O)F)c2)c1
InChIInChI=1S/C15H8F2O3/c16-14(19)11-5-1-3-9(7-11)13(18)10-4-2-6-12(8-10)15(17)20/h1-8H
InChIKeyBWIBRYSISKHNCM-UHFFFAOYSA-N
XLogP3.14
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-carboxybenzoyl)benzoic acid
CID 754396
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
(3-carbonofluoridoylphenyl)boronic acid
CID 140808233
4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
CID 88641482
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
benzoyl fluoride;tetrahydrofluoride
CID 139728839
bis(3-methylphenyl)methanone
CID 17848
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
3-(4-carbonochloridoylbenzoyl)benzoyl chloride
CID 54548654
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
CID 58084752

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride?
The IUPAC name of 3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride (CID 155435077) is 3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride.
What is the SMILES notation for 3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride?
The canonical SMILES for 3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride is O=C(F)c1cccc(C(=O)c2cccc(C(=O)F)c2)c1.
What is the InChIKey of 3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride?
The InChIKey is BWIBRYSISKHNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2O3/c16-14(19)11-5-1-3-9(7-11)13(18)10-4-2-6-12(8-10)15(17)20/h1-8H.
What are the key properties of 3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride?
3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride has a molecular weight of 274.22 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride is sourced from PubChem (CID 155435077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).