5-fluoro-1,2-diiodo-3-methylbenzene

C7H5FI2 — CID 119020477

IUPAC5-fluoro-1,2-diiodo-3-methylbenzene
SMILESCc1cc(F)cc(I)c1I
InChIInChI=1S/C7H5FI2/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3
InChIKeyFNKLGXBEIZSMTO-UHFFFAOYSA-N
MW361.92 g/mol
LogP3.34
Rot. Bonds

About 5-fluoro-1,2-diiodo-3-methylbenzene

5-fluoro-1,2-diiodo-3-methylbenzene (PubChem CID 119020477) has the molecular formula C7H5FI2 and a molecular weight of 361.92 g/mol. Its IUPAC name is 5-fluoro-1,2-diiodo-3-methylbenzene.

Molecular Properties

Compound Name5-fluoro-1,2-diiodo-3-methylbenzene
PubChem CID119020477
Molecular FormulaC7H5FI2
Molecular Weight361.92 g/mol
Exact Mass361.85
IUPAC Name5-fluoro-1,2-diiodo-3-methylbenzene
SMILESCc1cc(F)cc(I)c1I
InChIInChI=1S/C7H5FI2/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3
InChIKeyFNKLGXBEIZSMTO-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-iodo-2,3-dimethylbenzene
CID 118852784
4-fluoro-2-iodo-6-methylaniline
CID 79018506
5-fluoro-2-iodo-1-methoxy-3-methylbenzene
CID 170171425
3,4-diiodo-5-methylphenol
CID 18353584
2-[bromo-(4-fluoro-2-iodophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 114029530
sodium;4-fluoro-2-iodo-6-methylphenol;4-fluoro-2-methylphenol;hypochlorite
CID 158082542
2-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 55253918
3-fluoro-4-iodo-5-methylaniline
CID 131425548
5-fluoro-2-[3-(4-fluoro-2-iodophenoxy)propoxy]-1,3-dimethylbenzene
CID 154029735
3-fluoro-1,2-diiodo-4-methylbenzene
CID 130967572
phosphane;1,3,5-trifluoro-2-iodobenzene
CID 175314660
chloromethyl-diethyl-[(4-fluoro-2-iodo-6-methylphenoxy)methyl]silane
CID 90259874

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2-diiodo-3-methylbenzene?
The IUPAC name of 5-fluoro-1,2-diiodo-3-methylbenzene (CID 119020477) is 5-fluoro-1,2-diiodo-3-methylbenzene.
What is the SMILES notation for 5-fluoro-1,2-diiodo-3-methylbenzene?
The canonical SMILES for 5-fluoro-1,2-diiodo-3-methylbenzene is Cc1cc(F)cc(I)c1I.
What is the InChIKey of 5-fluoro-1,2-diiodo-3-methylbenzene?
The InChIKey is FNKLGXBEIZSMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FI2/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3.
What are the key properties of 5-fluoro-1,2-diiodo-3-methylbenzene?
5-fluoro-1,2-diiodo-3-methylbenzene has a molecular weight of 361.92 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2-diiodo-3-methylbenzene is sourced from PubChem (CID 119020477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).