methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate

C11H11F3O3 — CID 134634567

IUPACmethyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate
SMILESCOC(=O)CCc1cccc(OC(F)F)c1F
InChIInChI=1S/C11H11F3O3/c1-16-9(15)6-5-7-3-2-4-8(10(7)12)17-11(13)14/h2-4,11H,5-6H2,1H3
InChIKeyWEIGRVUGGWBHMP-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.53
Rot. Bonds5

About methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate

methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate (PubChem CID 134634567) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate
PubChem CID134634567
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Namemethyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate
SMILESCOC(=O)CCc1cccc(OC(F)F)c1F
InChIInChI=1S/C11H11F3O3/c1-16-9(15)6-5-7-3-2-4-8(10(7)12)17-11(13)14/h2-4,11H,5-6H2,1H3
InChIKeyWEIGRVUGGWBHMP-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634568
methyl 2-(difluoromethoxy)-6-(3-methoxy-3-oxopropyl)benzoate
CID 134649355
methyl 3-[2-(difluoromethoxy)-6-(trifluoromethyl)phenyl]propanoate
CID 134634458
methyl 3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 175837074
methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634678
ethyl 3-[3-(difluoromethoxy)-2-iodophenyl]propanoate
CID 134632496
methyl 3-[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111865272
methyl 3-[2-(chloromethyl)phenyl]propanoate
CID 70171313
methyl 3-(3-bromo-2-hydroxyphenyl)propanoate
CID 150268670
methyl 3-(2-bromo-3-methylsulfanylphenyl)propanoate
CID 134634508
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
methyl 2-(difluoromethoxy)-4-(3-methoxy-3-oxopropyl)benzoate
CID 134649354

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate?
The IUPAC name of methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate (CID 134634567) is methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate.
What is the SMILES notation for methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate?
The canonical SMILES for methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate is COC(=O)CCc1cccc(OC(F)F)c1F.
What is the InChIKey of methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate?
The InChIKey is WEIGRVUGGWBHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-16-9(15)6-5-7-3-2-4-8(10(7)12)17-11(13)14/h2-4,11H,5-6H2,1H3.
What are the key properties of methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate?
methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate has a molecular weight of 248.20 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate is sourced from PubChem (CID 134634567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).