[3-(4-amino-3-fluorophenoxy)phenyl] acetate

C14H12FNO3 — CID 146292003

IUPAC[3-(4-amino-3-fluorophenoxy)phenyl] acetate
SMILESCC(=O)Oc1cccc(Oc2ccc(N)c(F)c2)c1
InChIInChI=1S/C14H12FNO3/c1-9(17)18-10-3-2-4-11(7-10)19-12-5-6-14(16)13(15)8-12/h2-8H,16H2,1H3
InChIKeyMOPOTFIWUATHHL-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.13
Rot. Bonds3

About [3-(4-amino-3-fluorophenoxy)phenyl] acetate

[3-(4-amino-3-fluorophenoxy)phenyl] acetate (PubChem CID 146292003) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is [3-(4-amino-3-fluorophenoxy)phenyl] acetate.

Molecular Properties

Compound Name[3-(4-amino-3-fluorophenoxy)phenyl] acetate
PubChem CID146292003
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name[3-(4-amino-3-fluorophenoxy)phenyl] acetate
SMILESCC(=O)Oc1cccc(Oc2ccc(N)c(F)c2)c1
InChIInChI=1S/C14H12FNO3/c1-9(17)18-10-3-2-4-11(7-10)19-12-5-6-14(16)13(15)8-12/h2-8H,16H2,1H3
InChIKeyMOPOTFIWUATHHL-UHFFFAOYSA-N
XLogP3.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.13
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

[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
[4-amino-3-(3-aminophenyl)phenyl] acetate
CID 68787000
[3-(trifluoromethoxy)phenyl] acetate
CID 20717735
1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
CID 107168510
2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965
(3-amino-4-methylphenyl) acetate
CID 66838768
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
(3-phenoxyphenyl) 2-methylpropanoate
CID 175210389
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
phenoxybenzene;phenyl acetate
CID 159251324
2-fluoro-4-methoxyaniline
CID 3756383
4-(4-amino-3-fluorophenoxy)-2-methylbenzonitrile
CID 81278641

Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-3-fluorophenoxy)phenyl] acetate?
The IUPAC name of [3-(4-amino-3-fluorophenoxy)phenyl] acetate (CID 146292003) is [3-(4-amino-3-fluorophenoxy)phenyl] acetate.
What is the SMILES notation for [3-(4-amino-3-fluorophenoxy)phenyl] acetate?
The canonical SMILES for [3-(4-amino-3-fluorophenoxy)phenyl] acetate is CC(=O)Oc1cccc(Oc2ccc(N)c(F)c2)c1.
What is the InChIKey of [3-(4-amino-3-fluorophenoxy)phenyl] acetate?
The InChIKey is MOPOTFIWUATHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-9(17)18-10-3-2-4-11(7-10)19-12-5-6-14(16)13(15)8-12/h2-8H,16H2,1H3.
What are the key properties of [3-(4-amino-3-fluorophenoxy)phenyl] acetate?
[3-(4-amino-3-fluorophenoxy)phenyl] acetate has a molecular weight of 261.25 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 [3-(4-amino-3-fluorophenoxy)phenyl] acetate is sourced from PubChem (CID 146292003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).