ethyl 2-benzoyl-5-fluorobenzoate

C16H13FO3 — CID 122215301

IUPACethyl 2-benzoyl-5-fluorobenzoate
SMILESCCOC(=O)c1cc(F)ccc1C(=O)c1ccccc1
InChIInChI=1S/C16H13FO3/c1-2-20-16(19)14-10-12(17)8-9-13(14)15(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyGQRLYYHPMDEVBS-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.23
Rot. Bonds4

About ethyl 2-benzoyl-5-fluorobenzoate

ethyl 2-benzoyl-5-fluorobenzoate (PubChem CID 122215301) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is ethyl 2-benzoyl-5-fluorobenzoate.

Molecular Properties

Compound Nameethyl 2-benzoyl-5-fluorobenzoate
PubChem CID122215301
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Nameethyl 2-benzoyl-5-fluorobenzoate
SMILESCCOC(=O)c1cc(F)ccc1C(=O)c1ccccc1
InChIInChI=1S/C16H13FO3/c1-2-20-16(19)14-10-12(17)8-9-13(14)15(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyGQRLYYHPMDEVBS-UHFFFAOYSA-N
XLogP3.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl Benzoate
CID 2345
Dibutyl Phthalate
CID 3026
Diethyl Phthalate
CID 6781
Butylphthalide
CID 61361
Dimethyl Phthalate
CID 8554
Diisobutyl phthalate
CID 6782
di-N-Octyl Phthalate
CID 8346
Diisodecyl Phthalate
CID 33599
Dicyclohexyl phthalate
CID 6777
Butyl Benzyl Phthalate
CID 2347
Dipentyl phthalate
CID 8561
Di(2-ethylhexyl) phthalate
CID 8343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzoyl-5-fluorobenzoate?
The IUPAC name of ethyl 2-benzoyl-5-fluorobenzoate (CID 122215301) is ethyl 2-benzoyl-5-fluorobenzoate.
What is the SMILES notation for ethyl 2-benzoyl-5-fluorobenzoate?
The canonical SMILES for ethyl 2-benzoyl-5-fluorobenzoate is CCOC(=O)c1cc(F)ccc1C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-benzoyl-5-fluorobenzoate?
The InChIKey is GQRLYYHPMDEVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-2-20-16(19)14-10-12(17)8-9-13(14)15(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-benzoyl-5-fluorobenzoate?
ethyl 2-benzoyl-5-fluorobenzoate has a molecular weight of 272.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzoyl-5-fluorobenzoate is sourced from PubChem (CID 122215301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).