1,3-bis(difluoromethyl)-4-iodopyrazole

C5H3F4IN2 — CID 170247476

IUPAC1,3-bis(difluoromethyl)-4-iodopyrazole
SMILESFC(F)c1nn(C(F)F)cc1I
InChIInChI=1S/C5H3F4IN2/c6-4(7)3-2(10)1-12(11-3)5(8)9/h1,4-5H
InChIKeyTYJPLGRSJZNGFO-UHFFFAOYSA-N
MW293.99 g/mol
LogP2.82
Rot. Bonds2

About 1,3-bis(difluoromethyl)-4-iodopyrazole

1,3-bis(difluoromethyl)-4-iodopyrazole (PubChem CID 170247476) has the molecular formula C5H3F4IN2 and a molecular weight of 293.99 g/mol. Its IUPAC name is 1,3-bis(difluoromethyl)-4-iodopyrazole.

Molecular Properties

Compound Name1,3-bis(difluoromethyl)-4-iodopyrazole
PubChem CID170247476
Molecular FormulaC5H3F4IN2
Molecular Weight293.99 g/mol
Exact Mass293.93
IUPAC Name1,3-bis(difluoromethyl)-4-iodopyrazole
SMILESFC(F)c1nn(C(F)F)cc1I
InChIInChI=1S/C5H3F4IN2/c6-4(7)3-2(10)1-12(11-3)5(8)9/h1,4-5H
InChIKeyTYJPLGRSJZNGFO-UHFFFAOYSA-N
XLogP2.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(difluoromethyl)-4-iodopyrazole?
The IUPAC name of 1,3-bis(difluoromethyl)-4-iodopyrazole (CID 170247476) is 1,3-bis(difluoromethyl)-4-iodopyrazole.
What is the SMILES notation for 1,3-bis(difluoromethyl)-4-iodopyrazole?
The canonical SMILES for 1,3-bis(difluoromethyl)-4-iodopyrazole is FC(F)c1nn(C(F)F)cc1I.
What is the InChIKey of 1,3-bis(difluoromethyl)-4-iodopyrazole?
The InChIKey is TYJPLGRSJZNGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4IN2/c6-4(7)3-2(10)1-12(11-3)5(8)9/h1,4-5H.
What are the key properties of 1,3-bis(difluoromethyl)-4-iodopyrazole?
1,3-bis(difluoromethyl)-4-iodopyrazole has a molecular weight of 293.99 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(difluoromethyl)-4-iodopyrazole is sourced from PubChem (CID 170247476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).