2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene

C7H4Cl2FI — CID 171003596

IUPAC2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene
SMILESFc1cc(I)cc(CCl)c1Cl
InChIInChI=1S/C7H4Cl2FI/c8-3-4-1-5(11)2-6(10)7(4)9/h1-2H,3H2
InChIKeyXRROTJHDONAHFU-UHFFFAOYSA-N
MW304.92 g/mol
LogP3.82
Rot. Bonds1

About 2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene

2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene (PubChem CID 171003596) has the molecular formula C7H4Cl2FI and a molecular weight of 304.92 g/mol. Its IUPAC name is 2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene.

Molecular Properties

Compound Name2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene
PubChem CID171003596
Molecular FormulaC7H4Cl2FI
Molecular Weight304.92 g/mol
Exact Mass303.87
IUPAC Name2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene
SMILESFc1cc(I)cc(CCl)c1Cl
InChIInChI=1S/C7H4Cl2FI/c8-3-4-1-5(11)2-6(10)7(4)9/h1-2H,3H2
InChIKeyXRROTJHDONAHFU-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.92
LogP ≤ 53.82
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-chloro-2-(chloromethyl)-3-fluoro-5-iodobenzene
CID 171003995
2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone
CID 171004829
1-(chloromethyl)-5-fluoro-2,4-diiodobenzene
CID 131118250
4-chloro-3-(chloromethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 81458333
1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene
CID 131331859
2-(chloromethyl)-3-fluoro-5-iodopyridine
CID 131115815
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
2-chloro-1-(chloromethyl)-5-fluoro-3-methoxybenzene
CID 171005344
1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene
CID 130877169
4-chloro-3-(chloromethyl)-5-fluoro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 81457118
4-chloro-3-(chloromethyl)-N-cyclopentyl-5-fluoro-N-methylbenzenesulfonamide
CID 81458331
1-chloro-2-fluoro-4-iodobenzene
CID 2736563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene?
The IUPAC name of 2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene (CID 171003596) is 2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene.
What is the SMILES notation for 2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene?
The canonical SMILES for 2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene is Fc1cc(I)cc(CCl)c1Cl.
What is the InChIKey of 2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene?
The InChIKey is XRROTJHDONAHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2FI/c8-3-4-1-5(11)2-6(10)7(4)9/h1-2H,3H2.
What are the key properties of 2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene?
2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene has a molecular weight of 304.92 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene is sourced from PubChem (CID 171003596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).