methyl 4-(dimethylamino)-2,6-difluorobenzoate

C10H11F2NO2 — CID 66909134

IUPACmethyl 4-(dimethylamino)-2,6-difluorobenzoate
SMILESCOC(=O)c1c(F)cc(N(C)C)cc1F
InChIInChI=1S/C10H11F2NO2/c1-13(2)6-4-7(11)9(8(12)5-6)10(14)15-3/h4-5H,1-3H3
InChIKeyZELUMYFXHSKXPB-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.82
Rot. Bonds2

About methyl 4-(dimethylamino)-2,6-difluorobenzoate

methyl 4-(dimethylamino)-2,6-difluorobenzoate (PubChem CID 66909134) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 4-(dimethylamino)-2,6-difluorobenzoate.

Molecular Properties

Compound Namemethyl 4-(dimethylamino)-2,6-difluorobenzoate
PubChem CID66909134
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 4-(dimethylamino)-2,6-difluorobenzoate
SMILESCOC(=O)c1c(F)cc(N(C)C)cc1F
InChIInChI=1S/C10H11F2NO2/c1-13(2)6-4-7(11)9(8(12)5-6)10(14)15-3/h4-5H,1-3H3
InChIKeyZELUMYFXHSKXPB-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,6-difluoro-4-(trideuteriomethoxy)benzoate
CID 150746407
methyl 4-(1-aminoethyl)-2,6-difluorobenzoate
CID 167297301
methyl 2,3,6-trifluoro-4-hydroxybenzoate
CID 131118987
methyl 2-fluoro-4,6-diiodobenzoate
CID 130766583
methyl 2,3,4-trichloro-6-fluorobenzoate
CID 166638354
methyl 2-bromo-4,6-difluorobenzoate
CID 97290200
methyl 4-ethenyl-2-fluoro-6-methylbenzoate
CID 155482448
methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride
CID 69214837
methyl 2,6-difluoro-4-(2-trimethylsilylethynyl)benzoate
CID 140966195
methyl 3-bromo-5-(dimethylamino)benzoate
CID 130652626
methyl 4-acetamido-2,3,6-trifluorobenzoate
CID 162354663
methyl 4-bromo-3,6-difluoro-2-methylbenzoate
CID 166077596

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylamino)-2,6-difluorobenzoate?
The IUPAC name of methyl 4-(dimethylamino)-2,6-difluorobenzoate (CID 66909134) is methyl 4-(dimethylamino)-2,6-difluorobenzoate.
What is the SMILES notation for methyl 4-(dimethylamino)-2,6-difluorobenzoate?
The canonical SMILES for methyl 4-(dimethylamino)-2,6-difluorobenzoate is COC(=O)c1c(F)cc(N(C)C)cc1F.
What is the InChIKey of methyl 4-(dimethylamino)-2,6-difluorobenzoate?
The InChIKey is ZELUMYFXHSKXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-13(2)6-4-7(11)9(8(12)5-6)10(14)15-3/h4-5H,1-3H3.
What are the key properties of methyl 4-(dimethylamino)-2,6-difluorobenzoate?
methyl 4-(dimethylamino)-2,6-difluorobenzoate has a molecular weight of 215.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylamino)-2,6-difluorobenzoate is sourced from PubChem (CID 66909134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).