1-(chloromethyl)-2-fluoro-3,4-diiodobenzene

C7H4ClFI2 — CID 130882439

IUPAC1-(chloromethyl)-2-fluoro-3,4-diiodobenzene
SMILESFc1c(CCl)ccc(I)c1I
InChIInChI=1S/C7H4ClFI2/c8-3-4-1-2-5(10)7(11)6(4)9/h1-2H,3H2
InChIKeyULPFLOBLLWOQSL-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.77
Rot. Bonds1

About 1-(chloromethyl)-2-fluoro-3,4-diiodobenzene

1-(chloromethyl)-2-fluoro-3,4-diiodobenzene (PubChem CID 130882439) has the molecular formula C7H4ClFI2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 1-(chloromethyl)-2-fluoro-3,4-diiodobenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-fluoro-3,4-diiodobenzene
PubChem CID130882439
Molecular FormulaC7H4ClFI2
Molecular Weight396.37 g/mol
Exact Mass395.81
IUPAC Name1-(chloromethyl)-2-fluoro-3,4-diiodobenzene
SMILESFc1c(CCl)ccc(I)c1I
InChIInChI=1S/C7H4ClFI2/c8-3-4-1-2-5(10)7(11)6(4)9/h1-2H,3H2
InChIKeyULPFLOBLLWOQSL-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_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-1,2-diiodo-4-methylbenzene
CID 130967572
1,4-bis(chloromethyl)-2-iodobenzene
CID 134821742
1-(chloromethyl)-2-fluoro-3,4-dimethylbenzene
CID 130837762
1-(chloromethyl)-2,3-difluoro-4-(trifluoromethyl)benzene
CID 121234690
1-(chloromethyl)-2,4-difluoro-3-nitrobenzene
CID 67924530
4-(chloromethyl)-3-fluoro-2-(trifluoromethyl)aniline
CID 130970173
6-bromo-3-(chloromethyl)-2-fluorophenol
CID 131216679
1,2,3,4-tetraiodobenzene
CID 12465
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
1-(chloromethyl)-5-fluoro-2,4-diiodobenzene
CID 131118250
(2-fluoro-3-iodophenyl)methanamine
CID 71042623
1-(chloromethyl)-3-fluoro-2,4-dimethylbenzene
CID 67280015

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-fluoro-3,4-diiodobenzene?
The IUPAC name of 1-(chloromethyl)-2-fluoro-3,4-diiodobenzene (CID 130882439) is 1-(chloromethyl)-2-fluoro-3,4-diiodobenzene.
What is the SMILES notation for 1-(chloromethyl)-2-fluoro-3,4-diiodobenzene?
The canonical SMILES for 1-(chloromethyl)-2-fluoro-3,4-diiodobenzene is Fc1c(CCl)ccc(I)c1I.
What is the InChIKey of 1-(chloromethyl)-2-fluoro-3,4-diiodobenzene?
The InChIKey is ULPFLOBLLWOQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFI2/c8-3-4-1-2-5(10)7(11)6(4)9/h1-2H,3H2.
What are the key properties of 1-(chloromethyl)-2-fluoro-3,4-diiodobenzene?
1-(chloromethyl)-2-fluoro-3,4-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)-2-fluoro-3,4-diiodobenzene is sourced from PubChem (CID 130882439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).