methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate

C15H10F2O3 — CID 22260738

IUPACmethyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
SMILESCOC(=O)c1ccc(F)c(C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H10F2O3/c1-20-15(19)10-5-6-13(17)12(8-10)14(18)9-3-2-4-11(16)7-9/h2-8H,1H3
InChIKeyFTBAQMJKFMDHQZ-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.98
Rot. Bonds3

About methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate

methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate (PubChem CID 22260738) has the molecular formula C15H10F2O3 and a molecular weight of 276.24 g/mol. Its IUPAC name is methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
PubChem CID22260738
Molecular FormulaC15H10F2O3
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Namemethyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
SMILESCOC(=O)c1ccc(F)c(C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H10F2O3/c1-20-15(19)10-5-6-13(17)12(8-10)14(18)9-3-2-4-11(16)7-9/h2-8H,1H3
InChIKeyFTBAQMJKFMDHQZ-UHFFFAOYSA-N
XLogP2.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-fluorobenzoate
CID 521184
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
[5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone
CID 22260789
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate
CID 67973755
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
methyl 5-(4-bromobenzoyl)-2-fluorobenzoate
CID 66724811
methyl 3-(2,5-difluorophenyl)sulfonyloxybenzoate
CID 29346545
CID 70265363
CID 70265363
CID 159558349
CID 159558349
(2,5-difluorophenyl)-(3-iodophenyl)methanone
CID 43159823

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate?
The IUPAC name of methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate (CID 22260738) is methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate.
What is the SMILES notation for methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate?
The canonical SMILES for methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate is COC(=O)c1ccc(F)c(C(=O)c2cccc(F)c2)c1.
What is the InChIKey of methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate?
The InChIKey is FTBAQMJKFMDHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O3/c1-20-15(19)10-5-6-13(17)12(8-10)14(18)9-3-2-4-11(16)7-9/h2-8H,1H3.
What are the key properties of methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate?
methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate has a molecular weight of 276.24 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate is sourced from PubChem (CID 22260738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).