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

C14H9Cl2FO2 — CID 119010018

IUPACmethyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FO2/c1-19-14(18)13-10(3-2-4-12(13)17)9-6-5-8(15)7-11(9)16/h2-7H,1H3
InChIKeyXENRDLAOQYIRLK-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.59
Rot. Bonds2

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

methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate (PubChem CID 119010018) has the molecular formula C14H9Cl2FO2 and a molecular weight of 299.13 g/mol. Its IUPAC name is methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
PubChem CID119010018
Molecular FormulaC14H9Cl2FO2
Molecular Weight299.13 g/mol
Exact Mass298.00
IUPAC Namemethyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FO2/c1-19-14(18)13-10(3-2-4-12(13)17)9-6-5-8(15)7-11(9)16/h2-7H,1H3
InChIKeyXENRDLAOQYIRLK-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-fluoro-6-(2,3,4,5,6-pentachlorophenyl)benzoate
CID 134635064
2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 119006979
methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate
CID 67854225
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
methyl 4-(2,5-dichlorophenyl)-2,6-difluorobenzoate
CID 119013644
methyl 2-[4-(2-aminopropan-2-yl)phenyl]-6-fluorobenzoate
CID 22349880
3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
CID 134617901
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788
N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 14600655
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451
ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate
CID 134623708

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate?
The IUPAC name of methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate (CID 119010018) is methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate.
What is the SMILES notation for methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate?
The canonical SMILES for methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate is COC(=O)c1c(F)cccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate?
The InChIKey is XENRDLAOQYIRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO2/c1-19-14(18)13-10(3-2-4-12(13)17)9-6-5-8(15)7-11(9)16/h2-7H,1H3.
What are the key properties of methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate?
methyl 2-(2,4-dichlorophenyl)-6-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-(2,4-dichlorophenyl)-6-fluorobenzoate is sourced from PubChem (CID 119010018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).