1-chloro-2-fluoro-4-iodo-3-methylbenzene

C7H5ClFI — CID 131011720

IUPAC1-chloro-2-fluoro-4-iodo-3-methylbenzene
SMILESCc1c(I)ccc(Cl)c1F
InChIInChI=1S/C7H5ClFI/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3
InChIKeyGGDMIXCLPCHKOI-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.39
Rot. Bonds

About 1-chloro-2-fluoro-4-iodo-3-methylbenzene

1-chloro-2-fluoro-4-iodo-3-methylbenzene (PubChem CID 131011720) has the molecular formula C7H5ClFI and a molecular weight of 270.47 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-iodo-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-iodo-3-methylbenzene
PubChem CID131011720
Molecular FormulaC7H5ClFI
Molecular Weight270.47 g/mol
Exact Mass269.91
IUPAC Name1-chloro-2-fluoro-4-iodo-3-methylbenzene
SMILESCc1c(I)ccc(Cl)c1F
InChIInChI=1S/C7H5ClFI/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3
InChIKeyGGDMIXCLPCHKOI-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.39
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

3-fluoro-1-iodo-2,4-dimethylbenzene
CID 129014010
1-chloro-3-ethyl-2-fluoro-4-iodobenzene
CID 164893690
1-(3-chloro-2-fluoro-6-iodophenyl)ethanone
CID 164892714
N-(2-fluoro-4-iodo-3-methylphenyl)acetamide
CID 166153622
4-chloro-3-fluoro-2-methylbenzoic acid
CID 15218738
3-chloro-2-fluoro-6-iodobenzoyl chloride
CID 164895010
2-chloro-3-fluoro-1,4-diiodobenzene
CID 118802327
1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
CID 164891728
1-bromo-4-chloro-2-fluoro-3-methylbenzene
CID 13340108
3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine
CID 84776584
3-fluoro-1,2-diiodo-4-methylbenzene
CID 130967572
1-chloro-2-fluoro-3-methylbenzene;diiodozinc
CID 174784139

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-iodo-3-methylbenzene?
The IUPAC name of 1-chloro-2-fluoro-4-iodo-3-methylbenzene (CID 131011720) is 1-chloro-2-fluoro-4-iodo-3-methylbenzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-iodo-3-methylbenzene?
The canonical SMILES for 1-chloro-2-fluoro-4-iodo-3-methylbenzene is Cc1c(I)ccc(Cl)c1F.
What is the InChIKey of 1-chloro-2-fluoro-4-iodo-3-methylbenzene?
The InChIKey is GGDMIXCLPCHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFI/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3.
What are the key properties of 1-chloro-2-fluoro-4-iodo-3-methylbenzene?
1-chloro-2-fluoro-4-iodo-3-methylbenzene has a molecular weight of 270.47 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-iodo-3-methylbenzene is sourced from PubChem (CID 131011720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).