3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole

C5H3F4IN2O — CID 171842664

IUPAC3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
SMILESFC(F)Oc1nn(C(F)F)cc1I
InChIInChI=1S/C5H3F4IN2O/c6-4(7)12-1-2(10)3(11-12)13-5(8)9/h1,4-5H
InChIKeySQAIRXPSSBEXIK-UHFFFAOYSA-N
MW309.99 g/mol
LogP2.48
Rot. Bonds3

About 3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole

3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole (PubChem CID 171842664) has the molecular formula C5H3F4IN2O and a molecular weight of 309.99 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
PubChem CID171842664
Molecular FormulaC5H3F4IN2O
Molecular Weight309.99 g/mol
Exact Mass309.92
IUPAC Name3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
SMILESFC(F)Oc1nn(C(F)F)cc1I
InChIInChI=1S/C5H3F4IN2O/c6-4(7)12-1-2(10)3(11-12)13-5(8)9/h1,4-5H
InChIKeySQAIRXPSSBEXIK-UHFFFAOYSA-N
XLogP2.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(difluoromethyl)-4-iodopyrazole
CID 170247476
1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride
CID 171145568
5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
CID 171842535
2-(difluoromethoxy)-6-fluoro-3-iodopyridine
CID 119004423
3-ethoxy-1-(1-ethoxyethyl)-4-iodopyrazole
CID 134840659
3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine
CID 138481082
methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate
CID 177042778
1-(2,2-difluoroethyl)-4-iodo-3-methoxypyrazole
CID 164885857
1-(difluoromethyl)-3-nitropyrazol-4-amine
CID 146680409
2-(difluoromethoxy)-1,3-diiodobenzene
CID 135741218
2-(difluoromethoxy)-3-fluoro-6-iodopyridine
CID 119020596
[1-(difluoromethyl)pyrazol-4-yl] hypoiodite
CID 155364155

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole?
The IUPAC name of 3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole (CID 171842664) is 3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole.
What is the SMILES notation for 3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole?
The canonical SMILES for 3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole is FC(F)Oc1nn(C(F)F)cc1I.
What is the InChIKey of 3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole?
The InChIKey is SQAIRXPSSBEXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4IN2O/c6-4(7)12-1-2(10)3(11-12)13-5(8)9/h1,4-5H.
What are the key properties of 3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole?
3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole has a molecular weight of 309.99 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole is sourced from PubChem (CID 171842664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).