3-fluoro-1,2-diiodo-4-methylbenzene

C7H5FI2 — CID 130967572

IUPAC3-fluoro-1,2-diiodo-4-methylbenzene
SMILESCc1ccc(I)c(I)c1F
InChIInChI=1S/C7H5FI2/c1-4-2-3-5(9)7(10)6(4)8/h2-3H,1H3
InChIKeyVPOCPSHVIPFCKP-UHFFFAOYSA-N
MW361.92 g/mol
LogP3.34
Rot. Bonds

About 3-fluoro-1,2-diiodo-4-methylbenzene

3-fluoro-1,2-diiodo-4-methylbenzene (PubChem CID 130967572) has the molecular formula C7H5FI2 and a molecular weight of 361.92 g/mol. Its IUPAC name is 3-fluoro-1,2-diiodo-4-methylbenzene.

Molecular Properties

Compound Name3-fluoro-1,2-diiodo-4-methylbenzene
PubChem CID130967572
Molecular FormulaC7H5FI2
Molecular Weight361.92 g/mol
Exact Mass361.85
IUPAC Name3-fluoro-1,2-diiodo-4-methylbenzene
SMILESCc1ccc(I)c(I)c1F
InChIInChI=1S/C7H5FI2/c1-4-2-3-5(9)7(10)6(4)8/h2-3H,1H3
InChIKeyVPOCPSHVIPFCKP-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_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-1-iodo-2,4-dimethylbenzene
CID 129014010
1-iodo-4,5,8-trimethylnaphthalene
CID 134559851
2,3-diiodo-6-methylphenol
CID 130788183
3-bromo-1,2-diiodo-4-methylbenzene
CID 164606306
1,2-diiodo-4-methyl-3-methylsulfonylbenzene
CID 142152443
1,2,3,4-tetraiodobenzene
CID 12465
1,2,3-trifluoro-5-(3-iodo-4-methylphenyl)benzene
CID 70892053
1-(chloromethyl)-2-fluoro-3,4-diiodobenzene
CID 130882439
2-fluoro-3,6-dimethylaniline
CID 67968158
2-chloro-1-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725
1-fluoro-3,4-diiodo-2-methylsulfanylbenzene
CID 131011058
2-chloro-1-fluoro-3-iodo-4-methylbenzene
CID 130951000

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,2-diiodo-4-methylbenzene?
The IUPAC name of 3-fluoro-1,2-diiodo-4-methylbenzene (CID 130967572) is 3-fluoro-1,2-diiodo-4-methylbenzene.
What is the SMILES notation for 3-fluoro-1,2-diiodo-4-methylbenzene?
The canonical SMILES for 3-fluoro-1,2-diiodo-4-methylbenzene is Cc1ccc(I)c(I)c1F.
What is the InChIKey of 3-fluoro-1,2-diiodo-4-methylbenzene?
The InChIKey is VPOCPSHVIPFCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FI2/c1-4-2-3-5(9)7(10)6(4)8/h2-3H,1H3.
What are the key properties of 3-fluoro-1,2-diiodo-4-methylbenzene?
3-fluoro-1,2-diiodo-4-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 3-fluoro-1,2-diiodo-4-methylbenzene is sourced from PubChem (CID 130967572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).