2-(4-amino-3-fluorophenoxy)benzoic acid

C13H10FNO3 — CID 175103965

IUPAC2-(4-amino-3-fluorophenoxy)benzoic acid
SMILESNc1ccc(Oc2ccccc2C(=O)O)cc1F
InChIInChI=1S/C13H10FNO3/c14-10-7-8(5-6-11(10)15)18-12-4-2-1-3-9(12)13(16)17/h1-7H,15H2,(H,16,17)
InChIKeyDDFJBEOTPFPZEJ-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.90
Rot. Bonds3

About 2-(4-amino-3-fluorophenoxy)benzoic acid

2-(4-amino-3-fluorophenoxy)benzoic acid (PubChem CID 175103965) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenoxy)benzoic acid
PubChem CID175103965
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name2-(4-amino-3-fluorophenoxy)benzoic acid
SMILESNc1ccc(Oc2ccccc2C(=O)O)cc1F
InChIInChI=1S/C13H10FNO3/c14-10-7-8(5-6-11(10)15)18-12-4-2-1-3-9(12)13(16)17/h1-7H,15H2,(H,16,17)
InChIKeyDDFJBEOTPFPZEJ-UHFFFAOYSA-N
XLogP2.90
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.90
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

1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
CID 113433083
2-amino-5-[4-(4-amino-3-carboxyphenoxy)-2,3,5,6-tetrafluorophenoxy]benzoic acid;benzene
CID 158765392
2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid
CID 141051376
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 107677517
2-(3-chloro-5-fluorophenoxy)benzoic acid
CID 91575337
ethyl 2-(3,4-difluorophenoxy)benzoate
CID 175272248
2-(4-nitrophenoxy)benzoic acid
CID 139059188
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
2-amino-4-(2-phenylphenoxy)benzoic acid
CID 175030921
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-(4-formylphenoxy)benzoic acid
CID 19374993

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenoxy)benzoic acid?
The IUPAC name of 2-(4-amino-3-fluorophenoxy)benzoic acid (CID 175103965) is 2-(4-amino-3-fluorophenoxy)benzoic acid.
What is the SMILES notation for 2-(4-amino-3-fluorophenoxy)benzoic acid?
The canonical SMILES for 2-(4-amino-3-fluorophenoxy)benzoic acid is Nc1ccc(Oc2ccccc2C(=O)O)cc1F.
What is the InChIKey of 2-(4-amino-3-fluorophenoxy)benzoic acid?
The InChIKey is DDFJBEOTPFPZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-10-7-8(5-6-11(10)15)18-12-4-2-1-3-9(12)13(16)17/h1-7H,15H2,(H,16,17).
What are the key properties of 2-(4-amino-3-fluorophenoxy)benzoic acid?
2-(4-amino-3-fluorophenoxy)benzoic acid has a molecular weight of 247.23 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenoxy)benzoic acid is sourced from PubChem (CID 175103965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).