[1-(difluoromethyl)pyrazol-4-yl] hypoiodite

C4H3F2IN2O — CID 155364155

IUPAC[1-(difluoromethyl)pyrazol-4-yl] hypoiodite
SMILESFC(F)n1cc(OI)cn1
InChIInChI=1S/C4H3F2IN2O/c5-4(6)9-2-3(10-7)1-8-9/h1-2,4H
InChIKeyCGQQPTIMZRPPHO-UHFFFAOYSA-N
MW259.98 g/mol
LogP2.01
Rot. Bonds2

About [1-(difluoromethyl)pyrazol-4-yl] hypoiodite

[1-(difluoromethyl)pyrazol-4-yl] hypoiodite (PubChem CID 155364155) has the molecular formula C4H3F2IN2O and a molecular weight of 259.98 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-4-yl] hypoiodite.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-4-yl] hypoiodite
PubChem CID155364155
Molecular FormulaC4H3F2IN2O
Molecular Weight259.98 g/mol
Exact Mass259.93
IUPAC Name[1-(difluoromethyl)pyrazol-4-yl] hypoiodite
SMILESFC(F)n1cc(OI)cn1
InChIInChI=1S/C4H3F2IN2O/c5-4(6)9-2-3(10-7)1-8-9/h1-2,4H
InChIKeyCGQQPTIMZRPPHO-UHFFFAOYSA-N
XLogP2.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.98
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-4-yl] hypoiodite?
The IUPAC name of [1-(difluoromethyl)pyrazol-4-yl] hypoiodite (CID 155364155) is [1-(difluoromethyl)pyrazol-4-yl] hypoiodite.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-4-yl] hypoiodite?
The canonical SMILES for [1-(difluoromethyl)pyrazol-4-yl] hypoiodite is FC(F)n1cc(OI)cn1.
What is the InChIKey of [1-(difluoromethyl)pyrazol-4-yl] hypoiodite?
The InChIKey is CGQQPTIMZRPPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2IN2O/c5-4(6)9-2-3(10-7)1-8-9/h1-2,4H.
What are the key properties of [1-(difluoromethyl)pyrazol-4-yl] hypoiodite?
[1-(difluoromethyl)pyrazol-4-yl] hypoiodite has a molecular weight of 259.98 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-4-yl] hypoiodite is sourced from PubChem (CID 155364155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).