1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone

C8H6F2INO — CID 164916898

IUPAC1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone
SMILESCC(=O)c1c(N)cc(F)c(I)c1F
InChIInChI=1S/C8H6F2INO/c1-3(13)6-5(12)2-4(9)8(11)7(6)10/h2H,12H2,1H3
InChIKeyQEFIMLGLIWURID-UHFFFAOYSA-N
MW297.04 g/mol
LogP2.35
Rot. Bonds1

About 1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone

1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone (PubChem CID 164916898) has the molecular formula C8H6F2INO and a molecular weight of 297.04 g/mol. Its IUPAC name is 1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone
PubChem CID164916898
Molecular FormulaC8H6F2INO
Molecular Weight297.04 g/mol
Exact Mass296.95
IUPAC Name1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone
SMILESCC(=O)c1c(N)cc(F)c(I)c1F
InChIInChI=1S/C8H6F2INO/c1-3(13)6-5(12)2-4(9)8(11)7(6)10/h2H,12H2,1H3
InChIKeyQEFIMLGLIWURID-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.04
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3,5-difluoro-4-iodoaniline
CID 106701637
1-(2-amino-6-hydroxy-4-iodophenyl)ethanone
CID 131334776
1-[6-amino-2,4-difluoro-3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]ethanone
CID 164916725
6-amino-2,4-difluoro-3-methylsulfanylbenzoic acid
CID 104721925
1-(3-amino-6-fluoro-2-hydroxyphenyl)ethanone
CID 131372695
1-(3-amino-6-hydroxy-2-iodophenyl)ethanone
CID 131324658
1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
CID 171017806
1-(3-amino-2-chloro-6-fluorophenyl)ethanone
CID 83410231
1-(3-bromo-5-fluoro-4-iodophenyl)ethanone
CID 171002379
1-(2-acetyl-6-amino-3,4,5-trifluorophenyl)ethanone
CID 87737254
1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone
CID 164772496
1-(3-chloro-2,5,6-trifluorophenyl)ethanone
CID 117298061

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone?
The IUPAC name of 1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone (CID 164916898) is 1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone.
What is the SMILES notation for 1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone?
The canonical SMILES for 1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone is CC(=O)c1c(N)cc(F)c(I)c1F.
What is the InChIKey of 1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone?
The InChIKey is QEFIMLGLIWURID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO/c1-3(13)6-5(12)2-4(9)8(11)7(6)10/h2H,12H2,1H3.
What are the key properties of 1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone?
1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone has a molecular weight of 297.04 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,4-difluoro-3-iodophenyl)ethanone is sourced from PubChem (CID 164916898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).