ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate

C15H11Cl2FO2 — CID 134623240

IUPACethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
SMILESCCOC(=O)c1cc(F)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO2/c1-2-20-15(19)12-8-10(18)4-5-11(12)9-3-6-13(16)14(17)7-9/h3-8H,2H2,1H3
InChIKeyGPFCWQZYUXEEGJ-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.98
Rot. Bonds3

About ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate

ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate (PubChem CID 134623240) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate.

Molecular Properties

Compound Nameethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
PubChem CID134623240
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Nameethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
SMILESCCOC(=O)c1cc(F)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO2/c1-2-20-15(19)12-8-10(18)4-5-11(12)9-3-6-13(16)14(17)7-9/h3-8H,2H2,1H3
InChIKeyGPFCWQZYUXEEGJ-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 115917522
ethyl 2-(2,3-dichlorophenyl)-5-fluorobenzoate
CID 118809533
2-(4-ethoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53227867
ethyl 5-(2-chloro-4-fluorophenyl)-2H-triazole-4-carboxylate
CID 169399029
ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 77174619
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
ethyl 2-(2-chloro-4-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 102972448
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate
CID 133092814
ethyl 4-(3,4-dichlorophenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
CID 121234846

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate?
The IUPAC name of ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate (CID 134623240) is ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate.
What is the SMILES notation for ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate?
The canonical SMILES for ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate is CCOC(=O)c1cc(F)ccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate?
The InChIKey is GPFCWQZYUXEEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c1-2-20-15(19)12-8-10(18)4-5-11(12)9-3-6-13(16)14(17)7-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate?
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate has a molecular weight of 313.16 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate is sourced from PubChem (CID 134623240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).