4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid

C14H11F2NO3 — CID 106954932

IUPAC4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
SMILESNc1ccc(C(=O)O)c(OCc2c(F)cccc2F)c1
InChIInChI=1S/C14H11F2NO3/c15-11-2-1-3-12(16)10(11)7-20-13-6-8(17)4-5-9(13)14(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyYFNWALCRNCKRLS-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.82
Rot. Bonds4

About 4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid

4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid (PubChem CID 106954932) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
PubChem CID106954932
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
SMILESNc1ccc(C(=O)O)c(OCc2c(F)cccc2F)c1
InChIInChI=1S/C14H11F2NO3/c15-11-2-1-3-12(16)10(11)7-20-13-6-8(17)4-5-9(13)14(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyYFNWALCRNCKRLS-UHFFFAOYSA-N
XLogP2.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 106954877
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
4-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 106954773
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
CID 114930307
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106954818
5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 43379989
4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid
CID 106954770
4-amino-2-(2,2-difluoro-2-phenylethoxy)benzoic acid
CID 106954864
4-amino-2-(cyanomethoxy)benzoic acid
CID 106954874
methyl 5-amino-2-[(2-chloro-6-fluorophenyl)methoxy]benzoate
CID 106955704

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid?
The IUPAC name of 4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid (CID 106954932) is 4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid is Nc1ccc(C(=O)O)c(OCc2c(F)cccc2F)c1.
What is the InChIKey of 4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid?
The InChIKey is YFNWALCRNCKRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c15-11-2-1-3-12(16)10(11)7-20-13-6-8(17)4-5-9(13)14(18)19/h1-6H,7,17H2,(H,18,19).
What are the key properties of 4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid?
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid has a molecular weight of 279.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 106954932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).