methyl 2-(difluoromethoxy)-6-fluorobenzoate

C9H7F3O3 — CID 59487507

IUPACmethyl 2-(difluoromethoxy)-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1OC(F)F
InChIInChI=1S/C9H7F3O3/c1-14-8(13)7-5(10)3-2-4-6(7)15-9(11)12/h2-4,9H,1H3
InChIKeyAVZXGEUXPCUKRZ-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.21
Rot. Bonds3

About methyl 2-(difluoromethoxy)-6-fluorobenzoate

methyl 2-(difluoromethoxy)-6-fluorobenzoate (PubChem CID 59487507) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is methyl 2-(difluoromethoxy)-6-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(difluoromethoxy)-6-fluorobenzoate
PubChem CID59487507
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Namemethyl 2-(difluoromethoxy)-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1OC(F)F
InChIInChI=1S/C9H7F3O3/c1-14-8(13)7-5(10)3-2-4-6(7)15-9(11)12/h2-4,9H,1H3
InChIKeyAVZXGEUXPCUKRZ-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(difluoromethoxy)-6-(3-methoxy-3-oxopropyl)benzoate
CID 134649355
methyl 2-(3-bromopropyl)-6-(difluoromethoxy)benzoate
CID 134649446
methyl 2,3-dibromo-6-(difluoromethoxy)benzoate
CID 134648331
methyl 2,6-difluorobenzoate;tricosane
CID 174987111
methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate
CID 10733286
methyl 2-fluoro-6-(2,3,4,5,6-pentachlorophenyl)benzoate
CID 134635064
methyl 2-cyano-6-(difluoromethoxy)-3-methoxybenzoate
CID 134646239
methyl 3-cyano-6-(difluoromethoxy)-2-(difluoromethyl)benzoate
CID 134646520
2-bromo-1-[2-(difluoromethoxy)-6-methylsulfanylphenyl]propan-1-one
CID 134618599
ethyl 3-[2-(difluoromethoxy)-6-fluorophenyl]-2,3-dihydroxypropanoate
CID 171866686
methyl 2-cyano-6-(difluoromethoxy)-3-formylbenzoate
CID 134649553
[4-(difluoromethoxy)phenyl]-(2,6-difluorophenyl)methanone
CID 114972892

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethoxy)-6-fluorobenzoate?
The IUPAC name of methyl 2-(difluoromethoxy)-6-fluorobenzoate (CID 59487507) is methyl 2-(difluoromethoxy)-6-fluorobenzoate.
What is the SMILES notation for methyl 2-(difluoromethoxy)-6-fluorobenzoate?
The canonical SMILES for methyl 2-(difluoromethoxy)-6-fluorobenzoate is COC(=O)c1c(F)cccc1OC(F)F.
What is the InChIKey of methyl 2-(difluoromethoxy)-6-fluorobenzoate?
The InChIKey is AVZXGEUXPCUKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c1-14-8(13)7-5(10)3-2-4-6(7)15-9(11)12/h2-4,9H,1H3.
What are the key properties of methyl 2-(difluoromethoxy)-6-fluorobenzoate?
methyl 2-(difluoromethoxy)-6-fluorobenzoate has a molecular weight of 220.15 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(difluoromethoxy)-6-fluorobenzoate is sourced from PubChem (CID 59487507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).