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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Related Compounds

methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148
methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate
CID 119016274
2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid
CID 118807060
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
methyl 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]benzoate
CID 118846081
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
CID 134638044
methyl 4,5-difluoro-2-[4-(trifluoromethyl)phenyl]benzoate
CID 118835382
methyl 4-(dihydroxymethyl)-5-fluoro-2-(2-methylphenyl)benzoate
CID 20699914
methyl 2-[3-(2,3-difluorophenyl)-5-(3-methoxypropyl)thiophen-2-yl]benzoate
CID 155683775
methyl 4-chloro-2-(2,3-difluorophenyl)-1,3-thiazole-5-carboxylate
CID 79078795
methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687

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).