methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate

C14H9Cl2FO2 — CID 134623804

IUPACmethyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
SMILESCOC(=O)c1cccc(F)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2FO2/c1-19-14(18)11-3-2-4-12(17)13(11)8-5-9(15)7-10(16)6-8/h2-7H,1H3
InChIKeyDUQZWPVSVSLYIP-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.59
Rot. Bonds2

About methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate

methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate (PubChem CID 134623804) has the molecular formula C14H9Cl2FO2 and a molecular weight of 299.13 g/mol. Its IUPAC name is methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
PubChem CID134623804
Molecular FormulaC14H9Cl2FO2
Molecular Weight299.13 g/mol
Exact Mass298.00
IUPAC Namemethyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
SMILESCOC(=O)c1cccc(F)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2FO2/c1-19-14(18)11-3-2-4-12(17)13(11)8-5-9(15)7-10(16)6-8/h2-7H,1H3
InChIKeyDUQZWPVSVSLYIP-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 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
3-chloro-5-(4-fluoro-3-methoxycarbonylphenyl)benzoic acid
CID 53228036
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate
CID 142384350
methyl 3-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbenzoate
CID 94002452
ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate
CID 134623708
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate
CID 160734201
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
methyl 2-(3-bromo-5-chlorophenyl)benzoate
CID 142754386
methyl 3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134630678

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate?
The IUPAC name of methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate (CID 134623804) is methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate.
What is the SMILES notation for methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate?
The canonical SMILES for methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate is COC(=O)c1cccc(F)c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate?
The InChIKey is DUQZWPVSVSLYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO2/c1-19-14(18)11-3-2-4-12(17)13(11)8-5-9(15)7-10(16)6-8/h2-7H,1H3.
What are the key properties of methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate?
methyl 2-(3,5-dichlorophenyl)-3-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-(3,5-dichlorophenyl)-3-fluorobenzoate is sourced from PubChem (CID 134623804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).