1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone

C8H4BrF2IO — CID 162354712

IUPAC1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone
SMILESO=C(c1ccccc1Br)C(F)(F)I
InChIInChI=1S/C8H4BrF2IO/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4H
InChIKeyZLPFRDJVNGJQQH-UHFFFAOYSA-N
MW360.92 g/mol
LogP3.66
Rot. Bonds2

About 1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone

1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone (PubChem CID 162354712) has the molecular formula C8H4BrF2IO and a molecular weight of 360.92 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone
PubChem CID162354712
Molecular FormulaC8H4BrF2IO
Molecular Weight360.92 g/mol
Exact Mass359.85
IUPAC Name1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone
SMILESO=C(c1ccccc1Br)C(F)(F)I
InChIInChI=1S/C8H4BrF2IO/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4H
InChIKeyZLPFRDJVNGJQQH-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.92
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone
CID 155907008
1-(2-bromophenyl)-2,2,2-trichloroethanone
CID 102572456
2-(2-bromophenyl)-2-oxoacetic acid
CID 4241115
2-(2-bromophenyl)-2-oxoacetate
CID 6999378
1-(2-bromophenyl)-2,2-dihydroxyethanone
CID 14046171
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
CID 14715010
2-bromobenzoyl cyanide
CID 12969202
[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
CID 172878103
S-(2-bromobenzoyl)sulfanyl 2-bromobenzenecarbothioate
CID 10071435
2-bromobenzamide;hydrochloride
CID 68911907
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide
CID 103726174

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone?
The IUPAC name of 1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone (CID 162354712) is 1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone?
The canonical SMILES for 1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone is O=C(c1ccccc1Br)C(F)(F)I.
What is the InChIKey of 1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone?
The InChIKey is ZLPFRDJVNGJQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2IO/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4H.
What are the key properties of 1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone?
1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone has a molecular weight of 360.92 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone is sourced from PubChem (CID 162354712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).