1-(1,1,2,2-tetrafluoropropyl)pyrazole

C6H6F4N2 — CID 137473825

IUPAC1-(1,1,2,2-tetrafluoropropyl)pyrazole
SMILESCC(F)(F)C(F)(F)n1cccn1
InChIInChI=1S/C6H6F4N2/c1-5(7,8)6(9,10)12-4-2-3-11-12/h2-4H,1H3
InChIKeyUAUQJUYLIMYEGN-UHFFFAOYSA-N
MW182.12 g/mol
LogP2.09
Rot. Bonds2

About 1-(1,1,2,2-tetrafluoropropyl)pyrazole

1-(1,1,2,2-tetrafluoropropyl)pyrazole (PubChem CID 137473825) has the molecular formula C6H6F4N2 and a molecular weight of 182.12 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoropropyl)pyrazole.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoropropyl)pyrazole
PubChem CID137473825
Molecular FormulaC6H6F4N2
Molecular Weight182.12 g/mol
Exact Mass182.05
IUPAC Name1-(1,1,2,2-tetrafluoropropyl)pyrazole
SMILESCC(F)(F)C(F)(F)n1cccn1
InChIInChI=1S/C6H6F4N2/c1-5(7,8)6(9,10)12-4-2-3-11-12/h2-4H,1H3
InChIKeyUAUQJUYLIMYEGN-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoropropyl)pyrazole?
The IUPAC name of 1-(1,1,2,2-tetrafluoropropyl)pyrazole (CID 137473825) is 1-(1,1,2,2-tetrafluoropropyl)pyrazole.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoropropyl)pyrazole?
The canonical SMILES for 1-(1,1,2,2-tetrafluoropropyl)pyrazole is CC(F)(F)C(F)(F)n1cccn1.
What is the InChIKey of 1-(1,1,2,2-tetrafluoropropyl)pyrazole?
The InChIKey is UAUQJUYLIMYEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4N2/c1-5(7,8)6(9,10)12-4-2-3-11-12/h2-4H,1H3.
What are the key properties of 1-(1,1,2,2-tetrafluoropropyl)pyrazole?
1-(1,1,2,2-tetrafluoropropyl)pyrazole has a molecular weight of 182.12 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoropropyl)pyrazole is sourced from PubChem (CID 137473825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).