1-(2-fluoroethyl)-3-iodo-4-methylpyrazole

C6H8FIN2 — CID 80696922

IUPAC1-(2-fluoroethyl)-3-iodo-4-methylpyrazole
SMILESCc1cn(CCF)nc1I
InChIInChI=1S/C6H8FIN2/c1-5-4-10(3-2-7)9-6(5)8/h4H,2-3H2,1H3
InChIKeyIXJUYUGCPOMCHW-UHFFFAOYSA-N
MW254.05 g/mol
LogP1.77
Rot. Bonds2

About 1-(2-fluoroethyl)-3-iodo-4-methylpyrazole

1-(2-fluoroethyl)-3-iodo-4-methylpyrazole (PubChem CID 80696922) has the molecular formula C6H8FIN2 and a molecular weight of 254.05 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-iodo-4-methylpyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-iodo-4-methylpyrazole
PubChem CID80696922
Molecular FormulaC6H8FIN2
Molecular Weight254.05 g/mol
Exact Mass253.97
IUPAC Name1-(2-fluoroethyl)-3-iodo-4-methylpyrazole
SMILESCc1cn(CCF)nc1I
InChIInChI=1S/C6H8FIN2/c1-5-4-10(3-2-7)9-6(5)8/h4H,2-3H2,1H3
InChIKeyIXJUYUGCPOMCHW-UHFFFAOYSA-N
XLogP1.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.05
LogP ≤ 51.77
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)-3-iodo-4-methylpyrazole?
The IUPAC name of 1-(2-fluoroethyl)-3-iodo-4-methylpyrazole (CID 80696922) is 1-(2-fluoroethyl)-3-iodo-4-methylpyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-3-iodo-4-methylpyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-3-iodo-4-methylpyrazole is Cc1cn(CCF)nc1I.
What is the InChIKey of 1-(2-fluoroethyl)-3-iodo-4-methylpyrazole?
The InChIKey is IXJUYUGCPOMCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FIN2/c1-5-4-10(3-2-7)9-6(5)8/h4H,2-3H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-iodo-4-methylpyrazole?
1-(2-fluoroethyl)-3-iodo-4-methylpyrazole has a molecular weight of 254.05 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-iodo-4-methylpyrazole is sourced from PubChem (CID 80696922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).