methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride

C10H13ClFNO3 — CID 69211241

IUPACmethyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
SMILESCOC(=O)c1ccc(OCCN)cc1F.Cl
InChIInChI=1S/C10H12FNO3.ClH/c1-14-10(13)8-3-2-7(6-9(8)11)15-5-4-12;/h2-3,6H,4-5,12H2,1H3;1H
InChIKeyZCCQVMCHFICXKE-UHFFFAOYSA-N
MW249.67 g/mol
LogP1.37
Rot. Bonds4

About methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride

methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride (PubChem CID 69211241) has the molecular formula C10H13ClFNO3 and a molecular weight of 249.67 g/mol. Its IUPAC name is methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
PubChem CID69211241
Molecular FormulaC10H13ClFNO3
Molecular Weight249.67 g/mol
Exact Mass249.06
IUPAC Namemethyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
SMILESCOC(=O)c1ccc(OCCN)cc1F.Cl
InChIInChI=1S/C10H12FNO3.ClH/c1-14-10(13)8-3-2-7(6-9(8)11)15-5-4-12;/h2-3,6H,4-5,12H2,1H3;1H
InChIKeyZCCQVMCHFICXKE-UHFFFAOYSA-N
XLogP1.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-fluoro-4-octoxybenzoate
CID 59683755
methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride
CID 69214837
CID 66666881
CID 66666881
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate
CID 167802184
methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate
CID 586358
4-butoxy-2-fluorobenzoate
CID 7015592

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride?
The IUPAC name of methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride (CID 69211241) is methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride.
What is the SMILES notation for methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride?
The canonical SMILES for methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride is COC(=O)c1ccc(OCCN)cc1F.Cl.
What is the InChIKey of methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride?
The InChIKey is ZCCQVMCHFICXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3.ClH/c1-14-10(13)8-3-2-7(6-9(8)11)15-5-4-12;/h2-3,6H,4-5,12H2,1H3;1H.
What are the key properties of methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride?
methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride has a molecular weight of 249.67 g/mol, XLogP of 1.37, 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-fluorobenzoate;hydrochloride is sourced from PubChem (CID 69211241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).