1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole

C7H10FIN2 — CID 80697310

IUPAC1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole
SMILESCc1nn(CCF)c(C)c1I
InChIInChI=1S/C7H10FIN2/c1-5-7(9)6(2)11(10-5)4-3-8/h3-4H2,1-2H3
InChIKeyDERLBUFHFJUNIY-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.07
Rot. Bonds2

About 1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole

1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole (PubChem CID 80697310) has the molecular formula C7H10FIN2 and a molecular weight of 268.07 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole
PubChem CID80697310
Molecular FormulaC7H10FIN2
Molecular Weight268.07 g/mol
Exact Mass267.99
IUPAC Name1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole
SMILESCc1nn(CCF)c(C)c1I
InChIInChI=1S/C7H10FIN2/c1-5-7(9)6(2)11(10-5)4-3-8/h3-4H2,1-2H3
InChIKeyDERLBUFHFJUNIY-UHFFFAOYSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.07
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-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole (CID 80697310) is 1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole is Cc1nn(CCF)c(C)c1I.
What is the InChIKey of 1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole?
The InChIKey is DERLBUFHFJUNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FIN2/c1-5-7(9)6(2)11(10-5)4-3-8/h3-4H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole?
1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole has a molecular weight of 268.07 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-iodo-3,5-dimethylpyrazole is sourced from PubChem (CID 80697310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).