4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole

C8H8F6N2O — CID 122581319

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

About 4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole

4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole (PubChem CID 122581319) has the molecular formula C8H8F6N2O and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole
PubChem CID122581319
Molecular FormulaC8H8F6N2O
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Name4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole
SMILESCc1cnn(C(COC(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C8H8F6N2O/c1-5-2-15-16(3-5)6(7(9,10)11)4-17-8(12,13)14/h2-3,6H,4H2,1H3
InChIKeyLXCJJLHKCDTFHM-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

Analyze 4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole?
The IUPAC name of 4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole (CID 122581319) is 4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole.
What is the SMILES notation for 4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole?
The canonical SMILES for 4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole is Cc1cnn(C(COC(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole?
The InChIKey is LXCJJLHKCDTFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O/c1-5-2-15-16(3-5)6(7(9,10)11)4-17-8(12,13)14/h2-3,6H,4H2,1H3.
What are the key properties of 4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole?
4-methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]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-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole is sourced from PubChem (CID 122581319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).