1-(chloromethyl)-5-fluoro-2,4-diiodobenzene

C7H4ClFI2 — CID 131118250

IUPAC1-(chloromethyl)-5-fluoro-2,4-diiodobenzene
SMILESFc1cc(CCl)c(I)cc1I
InChIInChI=1S/C7H4ClFI2/c8-3-4-1-5(9)7(11)2-6(4)10/h1-2H,3H2
InChIKeyNGKABKGDRVAAIT-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.77
Rot. Bonds1

About 1-(chloromethyl)-5-fluoro-2,4-diiodobenzene

1-(chloromethyl)-5-fluoro-2,4-diiodobenzene (PubChem CID 131118250) has the molecular formula C7H4ClFI2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 1-(chloromethyl)-5-fluoro-2,4-diiodobenzene.

Molecular Properties

Compound Name1-(chloromethyl)-5-fluoro-2,4-diiodobenzene
PubChem CID131118250
Molecular FormulaC7H4ClFI2
Molecular Weight396.37 g/mol
Exact Mass395.81
IUPAC Name1-(chloromethyl)-5-fluoro-2,4-diiodobenzene
SMILESFc1cc(CCl)c(I)cc1I
InChIInChI=1S/C7H4ClFI2/c8-3-4-1-5(9)7(11)2-6(4)10/h1-2H,3H2
InChIKeyNGKABKGDRVAAIT-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene
CID 131331859
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
1-(bromomethyl)-2,5-difluoro-4-iodobenzene
CID 131263553
4-(chloromethyl)-2,5-diiodophenol
CID 131011104
2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene
CID 171003596
(4,5-difluoro-2-iodophenyl)methanamine
CID 86775727
2-(2-chloro-5-fluoro-4-iodophenyl)acetonitrile
CID 171005051
1-(chloromethyl)-3,4,5-trifluoro-2-methoxybenzene
CID 131010984
(4-chloro-5-fluoro-2-iodophenyl)methanamine
CID 171016038
1,4-bis(chloromethyl)-2-iodobenzene
CID 134821742
2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene
CID 130766572
4-(chloromethyl)-3-fluorophenol
CID 54246792

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-5-fluoro-2,4-diiodobenzene?
The IUPAC name of 1-(chloromethyl)-5-fluoro-2,4-diiodobenzene (CID 131118250) is 1-(chloromethyl)-5-fluoro-2,4-diiodobenzene.
What is the SMILES notation for 1-(chloromethyl)-5-fluoro-2,4-diiodobenzene?
The canonical SMILES for 1-(chloromethyl)-5-fluoro-2,4-diiodobenzene is Fc1cc(CCl)c(I)cc1I.
What is the InChIKey of 1-(chloromethyl)-5-fluoro-2,4-diiodobenzene?
The InChIKey is NGKABKGDRVAAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFI2/c8-3-4-1-5(9)7(11)2-6(4)10/h1-2H,3H2.
What are the key properties of 1-(chloromethyl)-5-fluoro-2,4-diiodobenzene?
1-(chloromethyl)-5-fluoro-2,4-diiodobenzene has a molecular weight of 396.37 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-5-fluoro-2,4-diiodobenzene is sourced from PubChem (CID 131118250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).