ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole

C9H15F3N2O — CID 156847025

IUPACethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC.COCc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O.C2H6/c1-13-4-6-2-3-12(11-6)5-7(8,9)10;1-2/h2-3H,4-5H2,1H3;1-2H3
InChIKeyFQUXYISIZAGGFB-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.62
Rot. Bonds3

About ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole

ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 156847025) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Nameethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID156847025
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Nameethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC.COCc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O.C2H6/c1-13-4-6-2-3-12(11-6)5-7(8,9)10;1-2/h2-3H,4-5H2,1H3;1-2H3
InChIKeyFQUXYISIZAGGFB-UHFFFAOYSA-N
XLogP2.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 156847025) is ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole is CC.COCc1ccn(CC(F)(F)F)n1.
What is the InChIKey of ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is FQUXYISIZAGGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O.C2H6/c1-13-4-6-2-3-12(11-6)5-7(8,9)10;1-2/h2-3H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 224.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 156847025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).