2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol

C8H12F2N2O2 — CID 80605105

IUPAC2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol
SMILESCOc1c(C(O)C(F)F)c(C)nn1C
InChIInChI=1S/C8H12F2N2O2/c1-4-5(6(13)7(9)10)8(14-3)12(2)11-4/h6-7,13H,1-3H3
InChIKeyJBWPJKREYWFSHB-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.04
Rot. Bonds3

About 2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol

2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 80605105) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID80605105
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol
SMILESCOc1c(C(O)C(F)F)c(C)nn1C
InChIInChI=1S/C8H12F2N2O2/c1-4-5(6(13)7(9)10)8(14-3)12(2)11-4/h6-7,13H,1-3H3
InChIKeyJBWPJKREYWFSHB-UHFFFAOYSA-N
XLogP1.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol (CID 80605105) is 2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol is COc1c(C(O)C(F)F)c(C)nn1C.
What is the InChIKey of 2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is JBWPJKREYWFSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c1-4-5(6(13)7(9)10)8(14-3)12(2)11-4/h6-7,13H,1-3H3.
What are the key properties of 2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol?
2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 206.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 80605105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).