methyl 2,3-difluoro-6-prop-2-enoxybenzoate

C11H10F2O3 — CID 170553452

IUPACmethyl 2,3-difluoro-6-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(F)c(F)c1C(=O)OC
InChIInChI=1S/C11H10F2O3/c1-3-6-16-8-5-4-7(12)10(13)9(8)11(14)15-2/h3-5H,1,6H2,2H3
InChIKeyFZAZFFGIXWKALV-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.32
Rot. Bonds4

About methyl 2,3-difluoro-6-prop-2-enoxybenzoate

methyl 2,3-difluoro-6-prop-2-enoxybenzoate (PubChem CID 170553452) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is methyl 2,3-difluoro-6-prop-2-enoxybenzoate.

Molecular Properties

Compound Namemethyl 2,3-difluoro-6-prop-2-enoxybenzoate
PubChem CID170553452
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Namemethyl 2,3-difluoro-6-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(F)c(F)c1C(=O)OC
InChIInChI=1S/C11H10F2O3/c1-3-6-16-8-5-4-7(12)10(13)9(8)11(14)15-2/h3-5H,1,6H2,2H3
InChIKeyFZAZFFGIXWKALV-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-fluoro-3-prop-2-enoxybenzoate
CID 67441936
methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
dimethyl 4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 71377210
methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate
CID 126574853
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748
methyl 6-(difluoromethyl)-2,3-difluorobenzoate
CID 134648361
1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 118191628
2-bromo-3-fluoro-4-prop-2-enoxybenzoic acid
CID 107540612
methyl 3-acetyl-4-prop-2-enoxybenzoate
CID 97033850
methyl 6-bromo-5-prop-2-enoxypyridine-2-carboxylate
CID 23657913
3-methoxycarbonyl-4-prop-2-enoxybenzoic acid
CID 71429807
1-(2,3,4-trifluorophenoxy)propan-2-one
CID 83396685

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-difluoro-6-prop-2-enoxybenzoate?
The IUPAC name of methyl 2,3-difluoro-6-prop-2-enoxybenzoate (CID 170553452) is methyl 2,3-difluoro-6-prop-2-enoxybenzoate.
What is the SMILES notation for methyl 2,3-difluoro-6-prop-2-enoxybenzoate?
The canonical SMILES for methyl 2,3-difluoro-6-prop-2-enoxybenzoate is C=CCOc1ccc(F)c(F)c1C(=O)OC.
What is the InChIKey of methyl 2,3-difluoro-6-prop-2-enoxybenzoate?
The InChIKey is FZAZFFGIXWKALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c1-3-6-16-8-5-4-7(12)10(13)9(8)11(14)15-2/h3-5H,1,6H2,2H3.
What are the key properties of methyl 2,3-difluoro-6-prop-2-enoxybenzoate?
methyl 2,3-difluoro-6-prop-2-enoxybenzoate has a molecular weight of 228.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-difluoro-6-prop-2-enoxybenzoate is sourced from PubChem (CID 170553452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).