methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate

C14H9F3O2 — CID 75488422

IUPACmethyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
SMILESCOC(=O)c1ccc(-c2cc(F)ccc2F)cc1F
InChIInChI=1S/C14H9F3O2/c1-19-14(18)10-4-2-8(6-13(10)17)11-7-9(15)3-5-12(11)16/h2-7H,1H3
InChIKeyWJLYXJMNRMBRRT-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.56
Rot. Bonds2

About methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate

methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate (PubChem CID 75488422) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
PubChem CID75488422
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Namemethyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
SMILESCOC(=O)c1ccc(-c2cc(F)ccc2F)cc1F
InChIInChI=1S/C14H9F3O2/c1-19-14(18)10-4-2-8(6-13(10)17)11-7-9(15)3-5-12(11)16/h2-7H,1H3
InChIKeyWJLYXJMNRMBRRT-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
CID 53219657
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 53224145
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
methyl 2-fluoro-4-(4-isocyanatophenyl)benzoate
CID 169355226
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
methyl 2-ethynyl-4-fluorobenzoate
CID 130038458
methyl 4-amino-2-(4-fluorophenyl)benzoate
CID 18476027
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid
CID 53211098

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate?
The IUPAC name of methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate (CID 75488422) is methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate.
What is the SMILES notation for methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate?
The canonical SMILES for methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate is COC(=O)c1ccc(-c2cc(F)ccc2F)cc1F.
What is the InChIKey of methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate?
The InChIKey is WJLYXJMNRMBRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c1-19-14(18)10-4-2-8(6-13(10)17)11-7-9(15)3-5-12(11)16/h2-7H,1H3.
What are the key properties of methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate?
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate has a molecular weight of 266.22 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate is sourced from PubChem (CID 75488422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).