(3-iodooxy-2-methylphenyl) hypofluorite

C7H6FIO2 — CID 170243665

IUPAC(3-iodooxy-2-methylphenyl) hypofluorite
SMILESCc1c(OF)cccc1OI
InChIInChI=1S/C7H6FIO2/c1-5-6(10-8)3-2-4-7(5)11-9/h2-4H,1H3
InChIKeyWBPDGIQHKPXTOU-UHFFFAOYSA-N
MW268.02 g/mol
LogP2.99
Rot. Bonds2

About (3-iodooxy-2-methylphenyl) hypofluorite

(3-iodooxy-2-methylphenyl) hypofluorite (PubChem CID 170243665) has the molecular formula C7H6FIO2 and a molecular weight of 268.02 g/mol. Its IUPAC name is (3-iodooxy-2-methylphenyl) hypofluorite.

Molecular Properties

Compound Name(3-iodooxy-2-methylphenyl) hypofluorite
PubChem CID170243665
Molecular FormulaC7H6FIO2
Molecular Weight268.02 g/mol
Exact Mass267.94
IUPAC Name(3-iodooxy-2-methylphenyl) hypofluorite
SMILESCc1c(OF)cccc1OI
InChIInChI=1S/C7H6FIO2/c1-5-6(10-8)3-2-4-7(5)11-9/h2-4H,1H3
InChIKeyWBPDGIQHKPXTOU-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.02
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-iodooxy-2-methylphenyl) hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxy-2-methylphenyl) hypoiodite
CID 143394785
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
(2-fluorophenyl) hypoiodite
CID 130349646
trimethyl-(2-methyl-3-trimethylsilyloxyphenoxy)silane
CID 14647908
(2-methylsulfanylphenyl) hypoiodite
CID 144554638
1,3-dibutoxy-2-methylbenzene
CID 14475066
methyl 2-fluorooxy-6-hydroxybenzoate
CID 163376786
(3-fluoro-2-methylphenyl) dihydrogen phosphate
CID 122607374
[2-methyl-3-(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91710793
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
2-methyl-1-(2-methyl-3-prop-1-ynylphenoxy)-3-prop-1-ynylbenzene
CID 156787019
1-bromo-3-methoxy-2-methylbenzene
CID 18505255

Frequently Asked Questions

What is the IUPAC name of (3-iodooxy-2-methylphenyl) hypofluorite?
The IUPAC name of (3-iodooxy-2-methylphenyl) hypofluorite (CID 170243665) is (3-iodooxy-2-methylphenyl) hypofluorite.
What is the SMILES notation for (3-iodooxy-2-methylphenyl) hypofluorite?
The canonical SMILES for (3-iodooxy-2-methylphenyl) hypofluorite is Cc1c(OF)cccc1OI.
What is the InChIKey of (3-iodooxy-2-methylphenyl) hypofluorite?
The InChIKey is WBPDGIQHKPXTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIO2/c1-5-6(10-8)3-2-4-7(5)11-9/h2-4H,1H3.
What are the key properties of (3-iodooxy-2-methylphenyl) hypofluorite?
(3-iodooxy-2-methylphenyl) hypofluorite has a molecular weight of 268.02 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodooxy-2-methylphenyl) hypofluorite is sourced from PubChem (CID 170243665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).