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

C14H8F4O2 — CID 134635154

IUPACmethyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate
SMILESCOC(=O)c1cc(F)c(F)cc1-c1cccc(F)c1F
InChIInChI=1S/C14H8F4O2/c1-20-14(19)9-6-12(17)11(16)5-8(9)7-3-2-4-10(15)13(7)18/h2-6H,1H3
InChIKeyQDNALSMWWQJWKD-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.70
Rot. Bonds2

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

methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate (PubChem CID 134635154) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate
PubChem CID134635154
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Namemethyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate
SMILESCOC(=O)c1cc(F)c(F)cc1-c1cccc(F)c1F
InChIInChI=1S/C14H8F4O2/c1-20-14(19)9-6-12(17)11(16)5-8(9)7-3-2-4-10(15)13(7)18/h2-6H,1H3
InChIKeyQDNALSMWWQJWKD-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate?
The IUPAC name of methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate (CID 134635154) is methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate.
What is the SMILES notation for methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate?
The canonical SMILES for methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate is COC(=O)c1cc(F)c(F)cc1-c1cccc(F)c1F.
What is the InChIKey of methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate?
The InChIKey is QDNALSMWWQJWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c1-20-14(19)9-6-12(17)11(16)5-8(9)7-3-2-4-10(15)13(7)18/h2-6H,1H3.
What are the key properties of methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate?
methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate has a molecular weight of 284.21 g/mol, XLogP of 3.70, 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)-4,5-difluorobenzoate is sourced from PubChem (CID 134635154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).