1-chloro-2-fluoro-4-(iodosylmethoxy)benzene

C7H5ClFIO2 — CID 155717110

IUPAC1-chloro-2-fluoro-4-(iodosylmethoxy)benzene
SMILESO=ICOc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H5ClFIO2/c8-6-2-1-5(3-7(6)9)12-4-10-11/h1-3H,4H2
InChIKeyWZGUVINXIICBLK-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.13
Rot. Bonds3

About 1-chloro-2-fluoro-4-(iodosylmethoxy)benzene

1-chloro-2-fluoro-4-(iodosylmethoxy)benzene (PubChem CID 155717110) has the molecular formula C7H5ClFIO2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-(iodosylmethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-(iodosylmethoxy)benzene
PubChem CID155717110
Molecular FormulaC7H5ClFIO2
Molecular Weight302.47 g/mol
Exact Mass301.90
IUPAC Name1-chloro-2-fluoro-4-(iodosylmethoxy)benzene
SMILESO=ICOc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H5ClFIO2/c8-6-2-1-5(3-7(6)9)12-4-10-11/h1-3H,4H2
InChIKeyWZGUVINXIICBLK-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene
CID 82706845
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
2-(4-chloro-3-fluorophenoxy)-N-ethenylacetamide
CID 155716981
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopropyl]methanethiol
CID 82719141
1-chloro-2-fluoro-4-(4,4,4-trifluorobutoxy)benzene
CID 82727729
4-[2-(4-chloro-3-fluorophenoxy)ethoxy]benzenecarbothioamide
CID 82718053
1-chloro-2-fluoro-4-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106706442
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
1-chloro-2-fluoro-4-[2-(4-nitrophenyl)ethoxy]benzene
CID 82727336
6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide
CID 82727709
3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
CID 115871138

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-(iodosylmethoxy)benzene?
The IUPAC name of 1-chloro-2-fluoro-4-(iodosylmethoxy)benzene (CID 155717110) is 1-chloro-2-fluoro-4-(iodosylmethoxy)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-(iodosylmethoxy)benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-(iodosylmethoxy)benzene is O=ICOc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-(iodosylmethoxy)benzene?
The InChIKey is WZGUVINXIICBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFIO2/c8-6-2-1-5(3-7(6)9)12-4-10-11/h1-3H,4H2.
What are the key properties of 1-chloro-2-fluoro-4-(iodosylmethoxy)benzene?
1-chloro-2-fluoro-4-(iodosylmethoxy)benzene has a molecular weight of 302.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-(iodosylmethoxy)benzene is sourced from PubChem (CID 155717110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).