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

C14H9F3O2 — CID 134635148

IUPACmethyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1-c1cccc(F)c1F
InChIInChI=1S/C14H9F3O2/c1-19-14(18)11-7-8(15)5-6-9(11)10-3-2-4-12(16)13(10)17/h2-7H,1H3
InChIKeyBNNWSYLASLPWDK-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.56
Rot. Bonds2

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

methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate (PubChem CID 134635148) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
PubChem CID134635148
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Namemethyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1-c1cccc(F)c1F
InChIInChI=1S/C14H9F3O2/c1-19-14(18)11-7-8(15)5-6-9(11)10-3-2-4-12(16)13(10)17/h2-7H,1H3
InChIKeyBNNWSYLASLPWDK-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-(2,3-difluorophenyl)-4,5-difluorobenzoate
CID 134635154
methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
2-(2,3-difluorophenyl)-4-fluorobenzamide
CID 134628957
methyl 5-fluoro-2-(hydroxymethyl)benzoate
CID 99769873
1-[5-fluoro-2-(2-fluorophenyl)phenyl]ethanone
CID 22482354
2-(2,3-difluorophenyl)-5-methylbenzoic acid
CID 53225918
methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
CID 134638044
methyl 2-(2,3-dichlorophenyl)-4-fluorobenzoate
CID 134617679
methyl 2-(2-cyano-3-fluorophenoxy)-4-fluorobenzoate
CID 67227369
methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate
CID 143289095
methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate
CID 67227707

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate?
The IUPAC name of methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate (CID 134635148) is methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate.
What is the SMILES notation for methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate?
The canonical SMILES for methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate is COC(=O)c1cc(F)ccc1-c1cccc(F)c1F.
What is the InChIKey of methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate?
The InChIKey is BNNWSYLASLPWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c1-19-14(18)11-7-8(15)5-6-9(11)10-3-2-4-12(16)13(10)17/h2-7H,1H3.
What are the key properties of methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate?
methyl 2-(2,3-difluorophenyl)-5-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 2-(2,3-difluorophenyl)-5-fluorobenzoate is sourced from PubChem (CID 134635148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).