5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole

C6H3F7N2 — CID 10376804

IUPAC5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1ccn[nH]1
InChIInChI=1S/C6H3F7N2/c7-4(8,3-1-2-14-15-3)5(9,10)6(11,12)13/h1-2H,(H,14,15)
InChIKeyZJNFZKRETOIRSX-UHFFFAOYSA-N
MW236.09 g/mol
LogP2.70
Rot. Bonds2

About 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole

5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole (PubChem CID 10376804) has the molecular formula C6H3F7N2 and a molecular weight of 236.09 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole
PubChem CID10376804
Molecular FormulaC6H3F7N2
Molecular Weight236.09 g/mol
Exact Mass236.02
IUPAC Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1ccn[nH]1
InChIInChI=1S/C6H3F7N2/c7-4(8,3-1-2-14-15-3)5(9,10)6(11,12)13/h1-2H,(H,14,15)
InChIKeyZJNFZKRETOIRSX-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole?
The IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole (CID 10376804) is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole.
What is the SMILES notation for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole?
The canonical SMILES for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole is FC(F)(F)C(F)(F)C(F)(F)c1ccn[nH]1.
What is the InChIKey of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole?
The InChIKey is ZJNFZKRETOIRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7N2/c7-4(8,3-1-2-14-15-3)5(9,10)6(11,12)13/h1-2H,(H,14,15).
What are the key properties of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole?
5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole has a molecular weight of 236.09 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazole is sourced from PubChem (CID 10376804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).