5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole

C5H3F5N2O — CID 76545933

IUPAC5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole
SMILESFC(F)(F)C(F)(F)Oc1ccn[nH]1
InChIInChI=1S/C5H3F5N2O/c6-4(7,8)5(9,10)13-3-1-2-11-12-3/h1-2H,(H,11,12)
InChIKeyHIQHYMJBRPTIFD-UHFFFAOYSA-N
MW202.08 g/mol
LogP1.94
Rot. Bonds2

About 5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole

5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole (PubChem CID 76545933) has the molecular formula C5H3F5N2O and a molecular weight of 202.08 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole
PubChem CID76545933
Molecular FormulaC5H3F5N2O
Molecular Weight202.08 g/mol
Exact Mass202.02
IUPAC Name5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole
SMILESFC(F)(F)C(F)(F)Oc1ccn[nH]1
InChIInChI=1S/C5H3F5N2O/c6-4(7,8)5(9,10)13-3-1-2-11-12-3/h1-2H,(H,11,12)
InChIKeyHIQHYMJBRPTIFD-UHFFFAOYSA-N
XLogP1.94
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 51.94
H-Bond Donors ≤ 51
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 5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole (CID 76545933) is 5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole is FC(F)(F)C(F)(F)Oc1ccn[nH]1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole?
The InChIKey is HIQHYMJBRPTIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5N2O/c6-4(7,8)5(9,10)13-3-1-2-11-12-3/h1-2H,(H,11,12).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole?
5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole has a molecular weight of 202.08 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethoxy)-1H-pyrazole is sourced from PubChem (CID 76545933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).