methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride

C10H12ClF2NO3 — CID 69214837

IUPACmethyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride
SMILESCOC(=O)c1c(F)cc(OCCN)cc1F.Cl
InChIInChI=1S/C10H11F2NO3.ClH/c1-15-10(14)9-7(11)4-6(5-8(9)12)16-3-2-13;/h4-5H,2-3,13H2,1H3;1H
InChIKeyPBBWGDVFGDOBPW-UHFFFAOYSA-N
MW267.66 g/mol
LogP1.51
Rot. Bonds4

About methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride

methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride (PubChem CID 69214837) has the molecular formula C10H12ClF2NO3 and a molecular weight of 267.66 g/mol. Its IUPAC name is methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride
PubChem CID69214837
Molecular FormulaC10H12ClF2NO3
Molecular Weight267.66 g/mol
Exact Mass267.05
IUPAC Namemethyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride
SMILESCOC(=O)c1c(F)cc(OCCN)cc1F.Cl
InChIInChI=1S/C10H11F2NO3.ClH/c1-15-10(14)9-7(11)4-6(5-8(9)12)16-3-2-13;/h4-5H,2-3,13H2,1H3;1H
InChIKeyPBBWGDVFGDOBPW-UHFFFAOYSA-N
XLogP1.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
CID 69211241
methyl 3,5-bis(2-fluoroethoxy)benzoate
CID 86609559
methyl 2,6-difluoro-4-(trideuteriomethoxy)benzoate
CID 150746407
[4-(2,6-difluoro-4-propoxybenzoyl)oxyphenyl] 2,6-difluoro-4-propoxybenzoate
CID 102521110
2-(3,5-difluorophenoxy)ethanamine;hydrochloride
CID 66980622
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
methyl 4-(1-aminoethyl)-2,6-difluorobenzoate
CID 167297301
methyl 4-(dimethylamino)-2,6-difluorobenzoate
CID 66909134
1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone
CID 160658832
N-ethyl-2,6-difluoro-4-propoxybenzamide
CID 149430518
1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone
CID 101024383
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride?
The IUPAC name of methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride (CID 69214837) is methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride.
What is the SMILES notation for methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride?
The canonical SMILES for methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride is COC(=O)c1c(F)cc(OCCN)cc1F.Cl.
What is the InChIKey of methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride?
The InChIKey is PBBWGDVFGDOBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3.ClH/c1-15-10(14)9-7(11)4-6(5-8(9)12)16-3-2-13;/h4-5H,2-3,13H2,1H3;1H.
What are the key properties of methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride?
methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride has a molecular weight of 267.66 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride is sourced from PubChem (CID 69214837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).