1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone

C9H8F2INO2 — CID 131281136

IUPAC1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone
SMILESCC(=O)c1c(OC(F)F)ccc(N)c1I
InChIInChI=1S/C9H8F2INO2/c1-4(14)7-6(15-9(10)11)3-2-5(13)8(7)12/h2-3,9H,13H2,1H3
InChIKeyFBLGPNUPFNHPKZ-UHFFFAOYSA-N
MW327.07 g/mol
LogP2.68
Rot. Bonds3

About 1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone

1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone (PubChem CID 131281136) has the molecular formula C9H8F2INO2 and a molecular weight of 327.07 g/mol. Its IUPAC name is 1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone
PubChem CID131281136
Molecular FormulaC9H8F2INO2
Molecular Weight327.07 g/mol
Exact Mass326.96
IUPAC Name1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone
SMILESCC(=O)c1c(OC(F)F)ccc(N)c1I
InChIInChI=1S/C9H8F2INO2/c1-4(14)7-6(15-9(10)11)3-2-5(13)8(7)12/h2-3,9H,13H2,1H3
InChIKeyFBLGPNUPFNHPKZ-UHFFFAOYSA-N
XLogP2.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.07
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 131379036
1-[3-(difluoromethoxy)-6-fluoro-2-iodophenyl]ethanone
CID 131575535
1-[6-bromo-3-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131597792
1-[2-amino-6-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034018
1-[6-(difluoromethoxy)-3-iodo-2-nitrophenyl]ethanone
CID 171032198
1-(3-amino-6-hydroxy-2-iodophenyl)ethanone
CID 131324658
1-[5-amino-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131281119
1-[2-bromo-3-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131586320
1-[6-amino-2-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
CID 171026052
1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
CID 171032948
1-[6-amino-3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171026919
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone?
The IUPAC name of 1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone (CID 131281136) is 1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone is CC(=O)c1c(OC(F)F)ccc(N)c1I.
What is the InChIKey of 1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone?
The InChIKey is FBLGPNUPFNHPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2INO2/c1-4(14)7-6(15-9(10)11)3-2-5(13)8(7)12/h2-3,9H,13H2,1H3.
What are the key properties of 1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone?
1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone has a molecular weight of 327.07 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone is sourced from PubChem (CID 131281136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).