2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol

C10H13F3N2O2 — CID 135348276

IUPAC2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol
SMILESCC1CCC1(O)n1ccc(OCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c1-7-2-4-9(7,16)15-5-3-8(14-15)17-6-10(11,12)13/h3,5,7,16H,2,4,6H2,1H3
InChIKeyOWJXYQNWSRUOST-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.90
Rot. Bonds3

About 2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol

2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol (PubChem CID 135348276) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol
PubChem CID135348276
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol
SMILESCC1CCC1(O)n1ccc(OCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c1-7-2-4-9(7,16)15-5-3-8(14-15)17-6-10(11,12)13/h3,5,7,16H,2,4,6H2,1H3
InChIKeyOWJXYQNWSRUOST-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol?
The IUPAC name of 2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol (CID 135348276) is 2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol?
The canonical SMILES for 2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol is CC1CCC1(O)n1ccc(OCC(F)(F)F)n1.
What is the InChIKey of 2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol?
The InChIKey is OWJXYQNWSRUOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-7-2-4-9(7,16)15-5-3-8(14-15)17-6-10(11,12)13/h3,5,7,16H,2,4,6H2,1H3.
What are the key properties of 2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol?
2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol has a molecular weight of 250.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 135348276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).