4-(2,2-difluoroethoxy)-1H-pyrazole

C5H6F2N2O — CID 154815222

IUPAC4-(2,2-difluoroethoxy)-1H-pyrazole
SMILESFC(F)COc1cn[nH]c1
InChIInChI=1S/C5H6F2N2O/c6-5(7)3-10-4-1-8-9-2-4/h1-2,5H,3H2,(H,8,9)
InChIKeyBJMJKWGCMGMNBB-UHFFFAOYSA-N
MW148.11 g/mol
LogP1.05
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-1H-pyrazole

4-(2,2-difluoroethoxy)-1H-pyrazole (PubChem CID 154815222) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1H-pyrazole
PubChem CID154815222
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name4-(2,2-difluoroethoxy)-1H-pyrazole
SMILESFC(F)COc1cn[nH]c1
InChIInChI=1S/C5H6F2N2O/c6-5(7)3-10-4-1-8-9-2-4/h1-2,5H,3H2,(H,8,9)
InChIKeyBJMJKWGCMGMNBB-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 4-(2,2-difluoroethoxy)-1H-pyrazole?
The IUPAC name of 4-(2,2-difluoroethoxy)-1H-pyrazole (CID 154815222) is 4-(2,2-difluoroethoxy)-1H-pyrazole.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1H-pyrazole?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1H-pyrazole is FC(F)COc1cn[nH]c1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1H-pyrazole?
The InChIKey is BJMJKWGCMGMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c6-5(7)3-10-4-1-8-9-2-4/h1-2,5H,3H2,(H,8,9).
What are the key properties of 4-(2,2-difluoroethoxy)-1H-pyrazole?
4-(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 4-(2,2-difluoroethoxy)-1H-pyrazole is sourced from PubChem (CID 154815222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).