5-(2,2-difluoroethoxy)-1,3-diethylpyrazole

C9H14F2N2O — CID 174850730

IUPAC5-(2,2-difluoroethoxy)-1,3-diethylpyrazole
SMILESCCc1cc(OCC(F)F)n(CC)n1
InChIInChI=1S/C9H14F2N2O/c1-3-7-5-9(13(4-2)12-7)14-6-8(10)11/h5,8H,3-4,6H2,1-2H3
InChIKeyDOVJYBAPBHARRD-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.11
Rot. Bonds5

About 5-(2,2-difluoroethoxy)-1,3-diethylpyrazole

5-(2,2-difluoroethoxy)-1,3-diethylpyrazole (PubChem CID 174850730) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-1,3-diethylpyrazole.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-1,3-diethylpyrazole
PubChem CID174850730
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name5-(2,2-difluoroethoxy)-1,3-diethylpyrazole
SMILESCCc1cc(OCC(F)F)n(CC)n1
InChIInChI=1S/C9H14F2N2O/c1-3-7-5-9(13(4-2)12-7)14-6-8(10)11/h5,8H,3-4,6H2,1-2H3
InChIKeyDOVJYBAPBHARRD-UHFFFAOYSA-N
XLogP2.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-1,3-diethylpyrazole?
The IUPAC name of 5-(2,2-difluoroethoxy)-1,3-diethylpyrazole (CID 174850730) is 5-(2,2-difluoroethoxy)-1,3-diethylpyrazole.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-1,3-diethylpyrazole?
The canonical SMILES for 5-(2,2-difluoroethoxy)-1,3-diethylpyrazole is CCc1cc(OCC(F)F)n(CC)n1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-1,3-diethylpyrazole?
The InChIKey is DOVJYBAPBHARRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-3-7-5-9(13(4-2)12-7)14-6-8(10)11/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 5-(2,2-difluoroethoxy)-1,3-diethylpyrazole?
5-(2,2-difluoroethoxy)-1,3-diethylpyrazole has a molecular weight of 204.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-1,3-diethylpyrazole is sourced from PubChem (CID 174850730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).