(2-fluorophenyl) 2-(3-aminophenoxy)acetate

C14H12FNO3 — CID 100615878

IUPAC(2-fluorophenyl) 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)Oc2ccccc2F)c1
InChIInChI=1S/C14H12FNO3/c15-12-6-1-2-7-13(12)19-14(17)9-18-11-5-3-4-10(16)8-11/h1-8H,9,16H2
InChIKeyONGRXRRWTYJJBQ-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.39
Rot. Bonds4

About (2-fluorophenyl) 2-(3-aminophenoxy)acetate

(2-fluorophenyl) 2-(3-aminophenoxy)acetate (PubChem CID 100615878) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is (2-fluorophenyl) 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-(3-aminophenoxy)acetate
PubChem CID100615878
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name(2-fluorophenyl) 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)Oc2ccccc2F)c1
InChIInChI=1S/C14H12FNO3/c15-12-6-1-2-7-13(12)19-14(17)9-18-11-5-3-4-10(16)8-11/h1-8H,9,16H2
InChIKeyONGRXRRWTYJJBQ-UHFFFAOYSA-N
XLogP2.39
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
2-(3-aminophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 61034814
3-phenylpropyl 2-(3-aminophenoxy)acetate
CID 61321902
(1-amino-1-oxobutan-2-yl) 2-(3-aminophenoxy)acetate
CID 62901789
1-(3-aminophenoxy)-3-(2,5-difluorophenoxy)propan-2-ol
CID 63268739
1-fluoro-2-methoxybenzene;3-methoxyaniline
CID 174853611
(2-fluorophenyl) 2-(2-nitrophenoxy)acetate
CID 7900804
6-hydroxyhexyl 2-(3-aminophenoxy)acetate
CID 107706148
2-(3-ethylphenoxy)ethyl 2-(2-fluorophenoxy)acetate
CID 55316441
2-methylpentyl 2-(3-aminophenoxy)acetate
CID 55055869
bis(2-fluorophenyl) hexanedioate
CID 91704928

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-(3-aminophenoxy)acetate?
The IUPAC name of (2-fluorophenyl) 2-(3-aminophenoxy)acetate (CID 100615878) is (2-fluorophenyl) 2-(3-aminophenoxy)acetate.
What is the SMILES notation for (2-fluorophenyl) 2-(3-aminophenoxy)acetate?
The canonical SMILES for (2-fluorophenyl) 2-(3-aminophenoxy)acetate is Nc1cccc(OCC(=O)Oc2ccccc2F)c1.
What is the InChIKey of (2-fluorophenyl) 2-(3-aminophenoxy)acetate?
The InChIKey is ONGRXRRWTYJJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-12-6-1-2-7-13(12)19-14(17)9-18-11-5-3-4-10(16)8-11/h1-8H,9,16H2.
What are the key properties of (2-fluorophenyl) 2-(3-aminophenoxy)acetate?
(2-fluorophenyl) 2-(3-aminophenoxy)acetate has a molecular weight of 261.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 100615878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).