1-(2,2-difluoroethyl)pyrazole

C5H6F2N2 — CID 25247479

IUPAC1-(2,2-difluoroethyl)pyrazole
SMILESFC(F)Cn1cccn1
InChIInChI=1S/C5H6F2N2/c6-5(7)4-9-3-1-2-8-9/h1-3,5H,4H2
InChIKeyPAPXVYOWIDXXAS-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.15
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyrazole

1-(2,2-difluoroethyl)pyrazole (PubChem CID 25247479) has the molecular formula C5H6F2N2 and a molecular weight of 132.11 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrazole
PubChem CID25247479
Molecular FormulaC5H6F2N2
Molecular Weight132.11 g/mol
Exact Mass132.05
IUPAC Name1-(2,2-difluoroethyl)pyrazole
SMILESFC(F)Cn1cccn1
InChIInChI=1S/C5H6F2N2/c6-5(7)4-9-3-1-2-8-9/h1-3,5H,4H2
InChIKeyPAPXVYOWIDXXAS-UHFFFAOYSA-N
XLogP1.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)pyrazole (CID 25247479) is 1-(2,2-difluoroethyl)pyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrazole is FC(F)Cn1cccn1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrazole?
The InChIKey is PAPXVYOWIDXXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2/c6-5(7)4-9-3-1-2-8-9/h1-3,5H,4H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrazole?
1-(2,2-difluoroethyl)pyrazole has a molecular weight of 132.11 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrazole is sourced from PubChem (CID 25247479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).