difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane

C7H6F3I — CID 157382093

IUPACdifluoro-(4-fluoro-2-methylphenyl)-λ3-iodane
SMILESCc1cc(F)ccc1I(F)F
InChIInChI=1S/C7H6F3I/c1-5-4-6(8)2-3-7(5)11(9)10/h2-4H,1H3
InChIKeyBKZRPCYETVVYGO-UHFFFAOYSA-N
MW274.02 g/mol
LogP3.58
Rot. Bonds1

About difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane

difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane (PubChem CID 157382093) has the molecular formula C7H6F3I and a molecular weight of 274.02 g/mol. Its IUPAC name is difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane.

Molecular Properties

Compound Namedifluoro-(4-fluoro-2-methylphenyl)-λ3-iodane
PubChem CID157382093
Molecular FormulaC7H6F3I
Molecular Weight274.02 g/mol
Exact Mass273.95
IUPAC Namedifluoro-(4-fluoro-2-methylphenyl)-λ3-iodane
SMILESCc1cc(F)ccc1I(F)F
InChIInChI=1S/C7H6F3I/c1-5-4-6(8)2-3-7(5)11(9)10/h2-4H,1H3
InChIKeyBKZRPCYETVVYGO-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.02
LogP ≤ 53.58
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

4-fluoro-2-methylbenzaldehyde
CID 2783217
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene
CID 145153744
bis(4-fluoro-2-methylphenyl)iodanium
CID 162490198
4-fluoro-2-methylphenol;zirconium
CID 174391374
4-fluoro-2-methyl-1-methylsulfanylbenzene
CID 53414601
3,6-difluoro-1-methylnaphthalene
CID 138605249
magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride
CID 24722704
1-(dimethoxymethyl)-4-fluoro-2-methylbenzene
CID 135381934
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546

Frequently Asked Questions

What is the IUPAC name of difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane?
The IUPAC name of difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane (CID 157382093) is difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane.
What is the SMILES notation for difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane?
The canonical SMILES for difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane is Cc1cc(F)ccc1I(F)F.
What is the InChIKey of difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane?
The InChIKey is BKZRPCYETVVYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3I/c1-5-4-6(8)2-3-7(5)11(9)10/h2-4H,1H3.
What are the key properties of difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane?
difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane has a molecular weight of 274.02 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane is sourced from PubChem (CID 157382093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).