methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate

C14H9Cl2FO2 — CID 119013650

IUPACmethyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H9Cl2FO2/c1-19-14(18)9-6-5-8(17)7-10(9)13-11(15)3-2-4-12(13)16/h2-7H,1H3
InChIKeyUEMKVYCNKFLBFD-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.59
Rot. Bonds2

About methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate

methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate (PubChem CID 119013650) has the molecular formula C14H9Cl2FO2 and a molecular weight of 299.13 g/mol. Its IUPAC name is methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate
PubChem CID119013650
Molecular FormulaC14H9Cl2FO2
Molecular Weight299.13 g/mol
Exact Mass298.00
IUPAC Namemethyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H9Cl2FO2/c1-19-14(18)9-6-5-8(17)7-10(9)13-11(15)3-2-4-12(13)16/h2-7H,1H3
InChIKeyUEMKVYCNKFLBFD-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2,3-dichlorophenyl)-4-fluorobenzoate
CID 134617679
methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate
CID 67227707
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
CID 133090529
methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate
CID 166162954
methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate
CID 119016274
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl 2-ethynyl-4-fluorobenzoate
CID 130038458
methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate
CID 43735444
methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate
CID 43735543
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate?
The IUPAC name of methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate (CID 119013650) is methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate.
What is the SMILES notation for methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate?
The canonical SMILES for methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate is COC(=O)c1ccc(F)cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate?
The InChIKey is UEMKVYCNKFLBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO2/c1-19-14(18)9-6-5-8(17)7-10(9)13-11(15)3-2-4-12(13)16/h2-7H,1H3.
What are the key properties of methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate?
methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate has a molecular weight of 299.13 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate is sourced from PubChem (CID 119013650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).