4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole

C8H8F6N2 — CID 88960216

IUPAC4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
SMILESCCc1c(C(F)(F)C(F)(F)F)nn(C)c1F
InChIInChI=1S/C8H8F6N2/c1-3-4-5(15-16(2)6(4)9)7(10,11)8(12,13)14/h3H2,1-2H3
InChIKeyBPDBMRBZFQACHS-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.78
Rot. Bonds2

About 4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole

4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole (PubChem CID 88960216) has the molecular formula C8H8F6N2 and a molecular weight of 246.15 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
PubChem CID88960216
Molecular FormulaC8H8F6N2
Molecular Weight246.15 g/mol
Exact Mass246.06
IUPAC Name4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
SMILESCCc1c(C(F)(F)C(F)(F)F)nn(C)c1F
InChIInChI=1S/C8H8F6N2/c1-3-4-5(15-16(2)6(4)9)7(10,11)8(12,13)14/h3H2,1-2H3
InChIKeyBPDBMRBZFQACHS-UHFFFAOYSA-N
XLogP2.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The IUPAC name of 4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole (CID 88960216) is 4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole.
What is the SMILES notation for 4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The canonical SMILES for 4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole is CCc1c(C(F)(F)C(F)(F)F)nn(C)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The InChIKey is BPDBMRBZFQACHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2/c1-3-4-5(15-16(2)6(4)9)7(10,11)8(12,13)14/h3H2,1-2H3.
What are the key properties of 4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole has a molecular weight of 246.15 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole is sourced from PubChem (CID 88960216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).