2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone

C14H8BrF2IO — CID 114166217

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1ccc(I)cc1
InChIInChI=1S/C14H8BrF2IO/c15-11-5-6-12(16)10(14(11)17)7-13(19)8-1-3-9(18)4-2-8/h1-6H,7H2
InChIKeyTXXLBWYBPVVNMO-UHFFFAOYSA-N
MW437.02 g/mol
LogP4.76
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone

2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone (PubChem CID 114166217) has the molecular formula C14H8BrF2IO and a molecular weight of 437.02 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone
PubChem CID114166217
Molecular FormulaC14H8BrF2IO
Molecular Weight437.02 g/mol
Exact Mass435.88
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1ccc(I)cc1
InChIInChI=1S/C14H8BrF2IO/c15-11-5-6-12(16)10(14(11)17)7-13(19)8-1-3-9(18)4-2-8/h1-6H,7H2
InChIKeyTXXLBWYBPVVNMO-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.02
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
CID 106265929
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
1-[4-(2-aminoethyl)phenyl]-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272613
2-(3-bromo-2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106266342
2-(3-bromo-2,6-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106266357
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-isoindol-5-yl)ethanone
CID 106272807
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
3-(3-bromo-2,6-difluorophenyl)-2-oxopropanoic acid
CID 130874083
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 106272804
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone (CID 114166217) is 2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone is O=C(Cc1c(F)ccc(Br)c1F)c1ccc(I)cc1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone?
The InChIKey is TXXLBWYBPVVNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2IO/c15-11-5-6-12(16)10(14(11)17)7-13(19)8-1-3-9(18)4-2-8/h1-6H,7H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone has a molecular weight of 437.02 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 114166217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).