1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole

C8H12F2N2O — CID 172621996

IUPAC1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole
SMILESCC(C)(COC(F)F)n1cccn1
InChIInChI=1S/C8H12F2N2O/c1-8(2,6-13-7(9)10)12-5-3-4-11-12/h3-5,7H,6H2,1-2H3
InChIKeyDIGQLQIRYMCQJX-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.86
Rot. Bonds4

About 1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole

1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole (PubChem CID 172621996) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole.

Molecular Properties

Compound Name1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole
PubChem CID172621996
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole
SMILESCC(C)(COC(F)F)n1cccn1
InChIInChI=1S/C8H12F2N2O/c1-8(2,6-13-7(9)10)12-5-3-4-11-12/h3-5,7H,6H2,1-2H3
InChIKeyDIGQLQIRYMCQJX-UHFFFAOYSA-N
XLogP1.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole?
The IUPAC name of 1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole (CID 172621996) is 1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole.
What is the SMILES notation for 1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole?
The canonical SMILES for 1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole is CC(C)(COC(F)F)n1cccn1.
What is the InChIKey of 1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole?
The InChIKey is DIGQLQIRYMCQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-8(2,6-13-7(9)10)12-5-3-4-11-12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole?
1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole has a molecular weight of 190.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethoxy)-2-methylpropan-2-yl]pyrazole is sourced from PubChem (CID 172621996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).