PZEAWKOAPFZZHN-UHFFFAOYSA-N

C₉H₁₄F₂N₂ — CID 154655757

About PZEAWKOAPFZZHN-UHFFFAOYSA-N

PZEAWKOAPFZZHN-UHFFFAOYSA-N (PubChem CID 154655757) has the molecular formula C₉H₁₄F₂N₂ and a molecular weight of 188.22 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,2-difluoroethyl)pyrazole.

Molecular Properties

• Compound Name: PZEAWKOAPFZZHN-UHFFFAOYSA-N
• PubChem CID: 154655757
• Molecular Formula: C₉H₁₄F₂N₂
• Molecular Weight: 188.22 g/mol
• Exact Mass: 188.11
• IUPAC Name: 3-tert-butyl-1-(2,2-difluoroethyl)pyrazole
• SMILES: CC(C)(C)c1ccn(CC(F)F)n1
• InChI: InChI=1S/C9H14F2N2/c1-9(2,3)7-4-5-13(12-7)6-8(10)11/h4-5,8H,6H2,1-3H3
• InChIKey: PZEAWKOAPFZZHN-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.22
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of PZEAWKOAPFZZHN-UHFFFAOYSA-N?

The IUPAC name of PZEAWKOAPFZZHN-UHFFFAOYSA-N (CID 154655757) is 3-tert-butyl-1-(2,2-difluoroethyl)pyrazole.

What is the SMILES notation for PZEAWKOAPFZZHN-UHFFFAOYSA-N?

The canonical SMILES for PZEAWKOAPFZZHN-UHFFFAOYSA-N is CC(C)(C)c1ccn(CC(F)F)n1.

What is the InChIKey of PZEAWKOAPFZZHN-UHFFFAOYSA-N?

The InChIKey is PZEAWKOAPFZZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-9(2,3)7-4-5-13(12-7)6-8(10)11/h4-5,8H,6H2,1-3H3.

What are the key properties of PZEAWKOAPFZZHN-UHFFFAOYSA-N?

PZEAWKOAPFZZHN-UHFFFAOYSA-N has a molecular weight of 188.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for PZEAWKOAPFZZHN-UHFFFAOYSA-N is sourced from PubChem (CID 154655757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154655757 — identifiers, structure, computed properties (public domain)

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