2-chloro-1-(difluoromethyl)-3-iodobenzene

C7H4ClF2I — CID 118995834

IUPAC2-chloro-1-(difluoromethyl)-3-iodobenzene
SMILESFC(F)c1cccc(I)c1Cl
InChIInChI=1S/C7H4ClF2I/c8-6-4(7(9)10)2-1-3-5(6)11/h1-3,7H
InChIKeyAUKVYWIVAXNSDP-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.88
Rot. Bonds1

About 2-chloro-1-(difluoromethyl)-3-iodobenzene

2-chloro-1-(difluoromethyl)-3-iodobenzene (PubChem CID 118995834) has the molecular formula C7H4ClF2I and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-chloro-1-(difluoromethyl)-3-iodobenzene.

Molecular Properties

Compound Name2-chloro-1-(difluoromethyl)-3-iodobenzene
PubChem CID118995834
Molecular FormulaC7H4ClF2I
Molecular Weight288.46 g/mol
Exact Mass287.90
IUPAC Name2-chloro-1-(difluoromethyl)-3-iodobenzene
SMILESFC(F)c1cccc(I)c1Cl
InChIInChI=1S/C7H4ClF2I/c8-6-4(7(9)10)2-1-3-5(6)11/h1-3,7H
InChIKeyAUKVYWIVAXNSDP-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-(difluoromethyl)-6-iodophenyl]hydrazine
CID 118854383
(1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine
CID 155687240
(3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol
CID 130987859
3-amino-3-(2-chloro-3-iodophenyl)propanenitrile
CID 130043829
2-chloro-1-(difluoromethyl)-3-nitrobenzene
CID 71239400
2-chloro-6-(difluoromethyl)aniline
CID 84656251
1,2-dibromo-3-(difluoromethyl)benzene
CID 46311693
4-(difluoromethyl)-5-iodoisoquinoline
CID 126661223
2-bromo-1-[2-(difluoromethyl)-6-iodophenyl]propan-1-one
CID 134619113
1-bromo-1-[2-(difluoromethyl)-6-iodophenyl]propan-2-one
CID 131491282
3-chloro-4-(difluoromethyl)-1H-pyridin-2-one
CID 130095415
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(difluoromethyl)-3-iodobenzene?
The IUPAC name of 2-chloro-1-(difluoromethyl)-3-iodobenzene (CID 118995834) is 2-chloro-1-(difluoromethyl)-3-iodobenzene.
What is the SMILES notation for 2-chloro-1-(difluoromethyl)-3-iodobenzene?
The canonical SMILES for 2-chloro-1-(difluoromethyl)-3-iodobenzene is FC(F)c1cccc(I)c1Cl.
What is the InChIKey of 2-chloro-1-(difluoromethyl)-3-iodobenzene?
The InChIKey is AUKVYWIVAXNSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2I/c8-6-4(7(9)10)2-1-3-5(6)11/h1-3,7H.
What are the key properties of 2-chloro-1-(difluoromethyl)-3-iodobenzene?
2-chloro-1-(difluoromethyl)-3-iodobenzene has a molecular weight of 288.46 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(difluoromethyl)-3-iodobenzene is sourced from PubChem (CID 118995834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).