1-(1,1,3,3,3-pentafluoropropyl)pyrazole

C6H5F5N2 — CID 68809292

IUPAC1-(1,1,3,3,3-pentafluoropropyl)pyrazole
SMILESFC(F)(F)CC(F)(F)n1cccn1
InChIInChI=1S/C6H5F5N2/c7-5(8,9)4-6(10,11)13-3-1-2-12-13/h1-3H,4H2
InChIKeyNANIPSSFIBTXND-UHFFFAOYSA-N
MW200.11 g/mol
LogP2.38
Rot. Bonds2

About 1-(1,1,3,3,3-pentafluoropropyl)pyrazole

1-(1,1,3,3,3-pentafluoropropyl)pyrazole (PubChem CID 68809292) has the molecular formula C6H5F5N2 and a molecular weight of 200.11 g/mol. Its IUPAC name is 1-(1,1,3,3,3-pentafluoropropyl)pyrazole.

Molecular Properties

Compound Name1-(1,1,3,3,3-pentafluoropropyl)pyrazole
PubChem CID68809292
Molecular FormulaC6H5F5N2
Molecular Weight200.11 g/mol
Exact Mass200.04
IUPAC Name1-(1,1,3,3,3-pentafluoropropyl)pyrazole
SMILESFC(F)(F)CC(F)(F)n1cccn1
InChIInChI=1S/C6H5F5N2/c7-5(8,9)4-6(10,11)13-3-1-2-12-13/h1-3H,4H2
InChIKeyNANIPSSFIBTXND-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,3,3,3-pentafluoropropyl)pyrazole?
The IUPAC name of 1-(1,1,3,3,3-pentafluoropropyl)pyrazole (CID 68809292) is 1-(1,1,3,3,3-pentafluoropropyl)pyrazole.
What is the SMILES notation for 1-(1,1,3,3,3-pentafluoropropyl)pyrazole?
The canonical SMILES for 1-(1,1,3,3,3-pentafluoropropyl)pyrazole is FC(F)(F)CC(F)(F)n1cccn1.
What is the InChIKey of 1-(1,1,3,3,3-pentafluoropropyl)pyrazole?
The InChIKey is NANIPSSFIBTXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2/c7-5(8,9)4-6(10,11)13-3-1-2-12-13/h1-3H,4H2.
What are the key properties of 1-(1,1,3,3,3-pentafluoropropyl)pyrazole?
1-(1,1,3,3,3-pentafluoropropyl)pyrazole has a molecular weight of 200.11 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,3,3,3-pentafluoropropyl)pyrazole is sourced from PubChem (CID 68809292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).