5-(2,2-difluoroethoxy)-1H-pyrazole

C5H6F2N2O — CID 135342067

IUPAC5-(2,2-difluoroethoxy)-1H-pyrazole
SMILESFC(F)COc1ccn[nH]1
InChIInChI=1S/C5H6F2N2O/c6-4(7)3-10-5-1-2-8-9-5/h1-2,4H,3H2,(H,8,9)
InChIKeyMMKWGHKFKGBJRZ-UHFFFAOYSA-N
MW148.11 g/mol
LogP1.05
Rot. Bonds3

About 5-(2,2-difluoroethoxy)-1H-pyrazole

5-(2,2-difluoroethoxy)-1H-pyrazole (PubChem CID 135342067) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-1H-pyrazole
PubChem CID135342067
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name5-(2,2-difluoroethoxy)-1H-pyrazole
SMILESFC(F)COc1ccn[nH]1
InChIInChI=1S/C5H6F2N2O/c6-4(7)3-10-5-1-2-8-9-5/h1-2,4H,3H2,(H,8,9)
InChIKeyMMKWGHKFKGBJRZ-UHFFFAOYSA-N
XLogP1.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-1H-pyrazole?
The IUPAC name of 5-(2,2-difluoroethoxy)-1H-pyrazole (CID 135342067) is 5-(2,2-difluoroethoxy)-1H-pyrazole.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-1H-pyrazole?
The canonical SMILES for 5-(2,2-difluoroethoxy)-1H-pyrazole is FC(F)COc1ccn[nH]1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-1H-pyrazole?
The InChIKey is MMKWGHKFKGBJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c6-4(7)3-10-5-1-2-8-9-5/h1-2,4H,3H2,(H,8,9).
What are the key properties of 5-(2,2-difluoroethoxy)-1H-pyrazole?
5-(2,2-difluoroethoxy)-1H-pyrazole has a molecular weight of 148.11 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-1H-pyrazole is sourced from PubChem (CID 135342067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).