1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone

C9H8F3NO2 — CID 131295418

IUPAC1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cc(N)cc1OC(F)F
InChIInChI=1S/C9H8F3NO2/c1-4(14)8-6(10)2-5(13)3-7(8)15-9(11)12/h2-3,9H,13H2,1H3
InChIKeyWGTDSZDSGCRICS-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.21
Rot. Bonds3

About 1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone

1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone (PubChem CID 131295418) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone
PubChem CID131295418
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cc(N)cc1OC(F)F
InChIInChI=1S/C9H8F3NO2/c1-4(14)8-6(10)2-5(13)3-7(8)15-9(11)12/h2-3,9H,13H2,1H3
InChIKeyWGTDSZDSGCRICS-UHFFFAOYSA-N
XLogP2.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.21
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

1-[4-amino-2-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131333497
1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
CID 171018286
1-[2-(difluoromethoxy)-4-ethyl-6-fluorophenyl]ethanone
CID 171031671
1-[2-amino-6-(difluoromethoxy)-4-nitrophenyl]ethanone
CID 171034000
1-[4-amino-2-(difluoromethoxy)-6-methoxyphenyl]butan-1-one
CID 157448208
1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 131379036
1-[2-(difluoromethoxy)-6-iodo-4-methylphenyl]ethanone
CID 131616290
1-[3-(difluoromethoxy)-6-fluoro-2-iodophenyl]ethanone
CID 131575535
1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131281136
5-amino-2-cyano-3-(difluoromethoxy)benzoic acid
CID 171022612
1-[4-amino-2-(difluoromethoxy)phenyl]-1-bromopropan-2-one
CID 131290072
1-[2-amino-6-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034018

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone?
The IUPAC name of 1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone (CID 131295418) is 1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone is CC(=O)c1c(F)cc(N)cc1OC(F)F.
What is the InChIKey of 1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone?
The InChIKey is WGTDSZDSGCRICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-4(14)8-6(10)2-5(13)3-7(8)15-9(11)12/h2-3,9H,13H2,1H3.
What are the key properties of 1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone?
1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone has a molecular weight of 219.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone is sourced from PubChem (CID 131295418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).