4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole

C8H8F6N2O — CID 118150168

IUPAC4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole
SMILESCc1cnn(C(OCC(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C8H8F6N2O/c1-5-2-15-16(3-5)6(8(12,13)14)17-4-7(9,10)11/h2-3,6H,4H2,1H3
InChIKeyIWAJOSKBFOGPKK-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.83
Rot. Bonds3

About 4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole

4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole (PubChem CID 118150168) has the molecular formula C8H8F6N2O and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole
PubChem CID118150168
Molecular FormulaC8H8F6N2O
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Name4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole
SMILESCc1cnn(C(OCC(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C8H8F6N2O/c1-5-2-15-16(3-5)6(8(12,13)14)17-4-7(9,10)11/h2-3,6H,4H2,1H3
InChIKeyIWAJOSKBFOGPKK-UHFFFAOYSA-N
XLogP2.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole?
The IUPAC name of 4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole (CID 118150168) is 4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole.
What is the SMILES notation for 4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole?
The canonical SMILES for 4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole is Cc1cnn(C(OCC(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole?
The InChIKey is IWAJOSKBFOGPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O/c1-5-2-15-16(3-5)6(8(12,13)14)17-4-7(9,10)11/h2-3,6H,4H2,1H3.
What are the key properties of 4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole?
4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole has a molecular weight of 262.15 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole is sourced from PubChem (CID 118150168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).