methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate

C14H8Cl2F2O2 — CID 119016274

IUPACmethyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate
SMILESCOC(=O)c1cc(F)c(F)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl2F2O2/c1-20-14(19)9-6-12(18)11(17)5-8(9)7-3-2-4-10(15)13(7)16/h2-6H,1H3
InChIKeyRZMVGIFDIYFEEM-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.73
Rot. Bonds2

About methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate

methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate (PubChem CID 119016274) has the molecular formula C14H8Cl2F2O2 and a molecular weight of 317.12 g/mol. Its IUPAC name is methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate
PubChem CID119016274
Molecular FormulaC14H8Cl2F2O2
Molecular Weight317.12 g/mol
Exact Mass315.99
IUPAC Namemethyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate
SMILESCOC(=O)c1cc(F)c(F)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl2F2O2/c1-20-14(19)9-6-12(18)11(17)5-8(9)7-3-2-4-10(15)13(7)16/h2-6H,1H3
InChIKeyRZMVGIFDIYFEEM-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 54.73
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-(2,3-difluorophenyl)-4,5-difluorobenzoate
CID 134635154
methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729
methyl 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]benzoate
CID 118846081
dimethyl 4-(2-chlorophenyl)-6-methylbenzene-1,3-dicarboxylate
CID 174705944
methyl 2-[(2,3-dichlorophenyl)methoxycarbonylamino]-4,5-difluorobenzoate
CID 169223403
dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate
CID 12832892
ethyl 2-(2,3-dichlorophenyl)-5-fluorobenzoate
CID 118809533
methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate
CID 119013650
methyl 2-fluoro-6-(2,3,4,5,6-pentachlorophenyl)benzoate
CID 134635064
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate?
The IUPAC name of methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate (CID 119016274) is methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate.
What is the SMILES notation for methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate?
The canonical SMILES for methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate is COC(=O)c1cc(F)c(F)cc1-c1cccc(Cl)c1Cl.
What is the InChIKey of methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate?
The InChIKey is RZMVGIFDIYFEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O2/c1-20-14(19)9-6-12(18)11(17)5-8(9)7-3-2-4-10(15)13(7)16/h2-6H,1H3.
What are the key properties of methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate?
methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate has a molecular weight of 317.12 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate is sourced from PubChem (CID 119016274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).