1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone

C14H12FNO2 — CID 113433083

IUPAC1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Oc2ccccc2F)ccc1N
InChIInChI=1S/C14H12FNO2/c1-9(17)11-8-10(6-7-13(11)16)18-14-5-3-2-4-12(14)15/h2-8H,16H2,1H3
InChIKeyHHUWIACYQAPIOA-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.40
Rot. Bonds3

About 1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone

1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone (PubChem CID 113433083) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
PubChem CID113433083
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Oc2ccccc2F)ccc1N
InChIInChI=1S/C14H12FNO2/c1-9(17)11-8-10(6-7-13(11)16)18-14-5-3-2-4-12(14)15/h2-8H,16H2,1H3
InChIKeyHHUWIACYQAPIOA-UHFFFAOYSA-N
XLogP3.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323
2-bromo-4-(2-fluorophenoxy)aniline
CID 138707019
1-[2-amino-5-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 104613341
1-[2-amino-5-(4-iodophenoxy)phenyl]ethanone
CID 104613269
2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965
2-amino-5-(2-fluoro-3-methylphenoxy)benzamide
CID 107659972
1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 104613311
ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
CID 63269663
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone
CID 104613187

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone (CID 113433083) is 1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone is CC(=O)c1cc(Oc2ccccc2F)ccc1N.
What is the InChIKey of 1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone?
The InChIKey is HHUWIACYQAPIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9(17)11-8-10(6-7-13(11)16)18-14-5-3-2-4-12(14)15/h2-8H,16H2,1H3.
What are the key properties of 1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone?
1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone has a molecular weight of 245.25 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone is sourced from PubChem (CID 113433083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).