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

C15H11Cl2FO2 — CID 134617655

IUPACethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate
SMILESCCOC(=O)c1ccc(-c2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C15H11Cl2FO2/c1-2-20-15(19)11-7-6-9(8-13(11)18)10-4-3-5-12(16)14(10)17/h3-8H,2H2,1H3
InChIKeyZJJMQYVZVRVLGQ-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.98
Rot. Bonds3

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

ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate (PubChem CID 134617655) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate.

Molecular Properties

Compound Nameethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate
PubChem CID134617655
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Nameethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate
SMILESCCOC(=O)c1ccc(-c2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C15H11Cl2FO2/c1-2-20-15(19)11-7-6-9(8-13(11)18)10-4-3-5-12(16)14(10)17/h3-8H,2H2,1H3
InChIKeyZJJMQYVZVRVLGQ-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-(2,3-dichlorophenyl)-5-fluorobenzoate
CID 118809533
2-chloro-5-(4-ethoxycarbonyl-3-fluorophenyl)pyridine-4-carboxylic acid
CID 53224396
2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
CID 118835610
diethyl 2-(2-chlorophenyl)-5-(4-chlorophenyl)benzene-1,4-dicarboxylate
CID 138461804
ethyl 2,3,4-trichloro-5-fluorobenzoate
CID 81445840
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
4-[2-(5-ethoxycarbonyl-2H-triazol-4-yl)phenyl]-2-fluorobenzoic acid
CID 169400274
4-(4-ethoxycarbonyl-3-fluorophenyl)-3-methoxybenzoic acid
CID 53228416
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
CID 134623240
ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate
CID 156882033
ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate
CID 134623708
ethyl 4-chloro-2,3-difluorobenzoate
CID 46311295

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate?
The IUPAC name of ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate (CID 134617655) is ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate.
What is the SMILES notation for ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate?
The canonical SMILES for ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate is CCOC(=O)c1ccc(-c2cccc(Cl)c2Cl)cc1F.
What is the InChIKey of ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate?
The InChIKey is ZJJMQYVZVRVLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c1-2-20-15(19)11-7-6-9(8-13(11)18)10-4-3-5-12(16)14(10)17/h3-8H,2H2,1H3.
What are the key properties of ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate?
ethyl 4-(2,3-dichlorophenyl)-2-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 4-(2,3-dichlorophenyl)-2-fluorobenzoate is sourced from PubChem (CID 134617655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).