methyl 2-(3-amino-2,6-difluorophenoxy)benzoate

C14H11F2NO3 — CID 91424160

IUPACmethyl 2-(3-amino-2,6-difluorophenoxy)benzoate
SMILESCOC(=O)c1ccccc1Oc1c(F)ccc(N)c1F
InChIInChI=1S/C14H11F2NO3/c1-19-14(18)8-4-2-3-5-11(8)20-13-9(15)6-7-10(17)12(13)16/h2-7H,17H2,1H3
InChIKeyVZXJEFNKUBDKDJ-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.13
Rot. Bonds3

About methyl 2-(3-amino-2,6-difluorophenoxy)benzoate

methyl 2-(3-amino-2,6-difluorophenoxy)benzoate (PubChem CID 91424160) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is methyl 2-(3-amino-2,6-difluorophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-(3-amino-2,6-difluorophenoxy)benzoate
PubChem CID91424160
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Namemethyl 2-(3-amino-2,6-difluorophenoxy)benzoate
SMILESCOC(=O)c1ccccc1Oc1c(F)ccc(N)c1F
InChIInChI=1S/C14H11F2NO3/c1-19-14(18)8-4-2-3-5-11(8)20-13-9(15)6-7-10(17)12(13)16/h2-7H,17H2,1H3
InChIKeyVZXJEFNKUBDKDJ-UHFFFAOYSA-N
XLogP3.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,4-diamino-3-fluorobenzoate
CID 171030777
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
methyl 2-(4-bromo-2-fluorophenoxy)benzoate
CID 90285144
methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate
CID 15057056
methyl 2-amino-5-(2,3-difluorophenoxy)-4-fluorobenzoate
CID 63036791
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
methyl 2,3-diamino-6-fluorobenzoate
CID 22464954
methyl 2-amino-3,4-difluorobenzoate
CID 22621156
methyl 2-(2-aminoethoxy)benzoate
CID 14273287
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-2,6-difluorophenoxy)benzoate?
The IUPAC name of methyl 2-(3-amino-2,6-difluorophenoxy)benzoate (CID 91424160) is methyl 2-(3-amino-2,6-difluorophenoxy)benzoate.
What is the SMILES notation for methyl 2-(3-amino-2,6-difluorophenoxy)benzoate?
The canonical SMILES for methyl 2-(3-amino-2,6-difluorophenoxy)benzoate is COC(=O)c1ccccc1Oc1c(F)ccc(N)c1F.
What is the InChIKey of methyl 2-(3-amino-2,6-difluorophenoxy)benzoate?
The InChIKey is VZXJEFNKUBDKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-19-14(18)8-4-2-3-5-11(8)20-13-9(15)6-7-10(17)12(13)16/h2-7H,17H2,1H3.
What are the key properties of methyl 2-(3-amino-2,6-difluorophenoxy)benzoate?
methyl 2-(3-amino-2,6-difluorophenoxy)benzoate has a molecular weight of 279.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-2,6-difluorophenoxy)benzoate is sourced from PubChem (CID 91424160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).