1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole

C8H8F6N2O — CID 147105093

IUPAC1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1nc(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C8H8F6N2O/c1-4(2)16-6(17-8(12,13)14)3-5(15-16)7(9,10)11/h3-4H,1-2H3
InChIKeyBLKFERMTKGGKOW-UHFFFAOYSA-N
MW262.15 g/mol
LogP3.38
Rot. Bonds2

About 1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole

1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole (PubChem CID 147105093) has the molecular formula C8H8F6N2O and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole
PubChem CID147105093
Molecular FormulaC8H8F6N2O
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Name1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1nc(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C8H8F6N2O/c1-4(2)16-6(17-8(12,13)14)3-5(15-16)7(9,10)11/h3-4H,1-2H3
InChIKeyBLKFERMTKGGKOW-UHFFFAOYSA-N
XLogP3.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole (CID 147105093) is 1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole is CC(C)n1nc(C(F)(F)F)cc1OC(F)(F)F.
What is the InChIKey of 1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole?
The InChIKey is BLKFERMTKGGKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O/c1-4(2)16-6(17-8(12,13)14)3-5(15-16)7(9,10)11/h3-4H,1-2H3.
What are the key properties of 1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole?
1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole has a molecular weight of 262.15 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(trifluoromethoxy)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 147105093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).