ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate

C15H11Cl2FO2 — CID 134623708

IUPACethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate
SMILESCCOC(=O)c1c(F)cccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2FO2/c1-2-20-15(19)14-12(4-3-5-13(14)18)9-6-10(16)8-11(17)7-9/h3-8H,2H2,1H3
InChIKeyKGAWHFAXBQXMMY-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.98
Rot. Bonds3

About ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate

ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate (PubChem CID 134623708) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate.

Molecular Properties

Compound Nameethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate
PubChem CID134623708
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Nameethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate
SMILESCCOC(=O)c1c(F)cccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2FO2/c1-2-20-15(19)14-12(4-3-5-13(14)18)9-6-10(16)8-11(17)7-9/h3-8H,2H2,1H3
InChIKeyKGAWHFAXBQXMMY-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 2-(4-ethoxycarbonylphenyl)-6-fluorobenzoate
CID 102026387
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 2-chlorosulfonyl-6-fluorobenzoate
CID 112556122
ethyl 4-(2,5-dichlorophenyl)-2,3,5,6-tetrafluorobenzoate
CID 119005529
ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 118348302
sulfanyl 2-(4-chlorophenyl)-6-fluorobenzoate
CID 176956323
diethyl 2-chloro-4-phenylazulene-1,3-dicarboxylate
CID 10500140
2-(5-chloro-2-ethoxyphenyl)-6-fluorobenzamide
CID 72866292
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 6-chloro-3-fluoro-2-methylbenzoate
CID 130921289
methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
CID 134623804

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate?
The IUPAC name of ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate (CID 134623708) is ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate.
What is the SMILES notation for ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate?
The canonical SMILES for ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate is CCOC(=O)c1c(F)cccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate?
The InChIKey is KGAWHFAXBQXMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c1-2-20-15(19)14-12(4-3-5-13(14)18)9-6-10(16)8-11(17)7-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate?
ethyl 2-(3,5-dichlorophenyl)-6-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-(3,5-dichlorophenyl)-6-fluorobenzoate is sourced from PubChem (CID 134623708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).