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

C5H3F4IN2O — CID 171842535

IUPAC5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
SMILESFC(F)Oc1c(I)cnn1C(F)F
InChIInChI=1S/C5H3F4IN2O/c6-4(7)12-3(13-5(8)9)2(10)1-11-12/h1,4-5H
InChIKeyJYESEIRLAJSEOL-UHFFFAOYSA-N
MW309.99 g/mol
LogP2.48
Rot. Bonds3

About 5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole

5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole (PubChem CID 171842535) has the molecular formula C5H3F4IN2O and a molecular weight of 309.99 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
PubChem CID171842535
Molecular FormulaC5H3F4IN2O
Molecular Weight309.99 g/mol
Exact Mass309.92
IUPAC Name5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
SMILESFC(F)Oc1c(I)cnn1C(F)F
InChIInChI=1S/C5H3F4IN2O/c6-4(7)12-3(13-5(8)9)2(10)1-11-12/h1,4-5H
InChIKeyJYESEIRLAJSEOL-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

5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole
CID 168841686
3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
CID 171842664
4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole
CID 162378326
4-bromo-1-(difluoromethyl)-6-iodoindazole
CID 171590316
1-(difluoromethyl)-5-methylpyrazol-4-amine;hydrochloride
CID 90482906
2-(difluoromethoxy)-6-fluoro-3-iodopyridine
CID 119004423
2-(difluoromethoxy)-1,3-diiodobenzene
CID 135741218
4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride
CID 163336292
5-ethoxy-4-iodo-1-methylpyrazole
CID 143937112
4-iodo-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrazole
CID 122170988
5-(difluoromethoxy)-1H-imidazole
CID 118818229
5-(difluoromethoxy)-1,3-thiazole
CID 154460414

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole?
The IUPAC name of 5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole (CID 171842535) is 5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole?
The canonical SMILES for 5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole is FC(F)Oc1c(I)cnn1C(F)F.
What is the InChIKey of 5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole?
The InChIKey is JYESEIRLAJSEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4IN2O/c6-4(7)12-3(13-5(8)9)2(10)1-11-12/h1,4-5H.
What are the key properties of 5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole?
5-(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 5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole is sourced from PubChem (CID 171842535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).