3-(1,1-difluoropropoxymethyl)-1-methylpyrazole

C8H12F2N2O — CID 90124934

IUPAC3-(1,1-difluoropropoxymethyl)-1-methylpyrazole
SMILESCCC(F)(F)OCc1ccn(C)n1
InChIInChI=1S/C8H12F2N2O/c1-3-8(9,10)13-6-7-4-5-12(2)11-7/h4-5H,3,6H2,1-2H3
InChIKeyYHVNNYYVYACXEA-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.94
Rot. Bonds4

About 3-(1,1-difluoropropoxymethyl)-1-methylpyrazole

3-(1,1-difluoropropoxymethyl)-1-methylpyrazole (PubChem CID 90124934) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 3-(1,1-difluoropropoxymethyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(1,1-difluoropropoxymethyl)-1-methylpyrazole
PubChem CID90124934
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name3-(1,1-difluoropropoxymethyl)-1-methylpyrazole
SMILESCCC(F)(F)OCc1ccn(C)n1
InChIInChI=1S/C8H12F2N2O/c1-3-8(9,10)13-6-7-4-5-12(2)11-7/h4-5H,3,6H2,1-2H3
InChIKeyYHVNNYYVYACXEA-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropoxymethyl)-1-methylpyrazole?
The IUPAC name of 3-(1,1-difluoropropoxymethyl)-1-methylpyrazole (CID 90124934) is 3-(1,1-difluoropropoxymethyl)-1-methylpyrazole.
What is the SMILES notation for 3-(1,1-difluoropropoxymethyl)-1-methylpyrazole?
The canonical SMILES for 3-(1,1-difluoropropoxymethyl)-1-methylpyrazole is CCC(F)(F)OCc1ccn(C)n1.
What is the InChIKey of 3-(1,1-difluoropropoxymethyl)-1-methylpyrazole?
The InChIKey is YHVNNYYVYACXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-3-8(9,10)13-6-7-4-5-12(2)11-7/h4-5H,3,6H2,1-2H3.
What are the key properties of 3-(1,1-difluoropropoxymethyl)-1-methylpyrazole?
3-(1,1-difluoropropoxymethyl)-1-methylpyrazole has a molecular weight of 190.19 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropoxymethyl)-1-methylpyrazole is sourced from PubChem (CID 90124934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).