1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole

C6H4F6N2 — CID 87421777

IUPAC1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole
SMILESFC(C(F)(F)F)C(F)(F)n1cccn1
InChIInChI=1S/C6H4F6N2/c7-4(5(8,9)10)6(11,12)14-3-1-2-13-14/h1-4H
InChIKeyPAIAJIHRDDFVCE-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.33
Rot. Bonds2

About 1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole

1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole (PubChem CID 87421777) has the molecular formula C6H4F6N2 and a molecular weight of 218.10 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole
PubChem CID87421777
Molecular FormulaC6H4F6N2
Molecular Weight218.10 g/mol
Exact Mass218.03
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole
SMILESFC(C(F)(F)F)C(F)(F)n1cccn1
InChIInChI=1S/C6H4F6N2/c7-4(5(8,9)10)6(11,12)14-3-1-2-13-14/h1-4H
InChIKeyPAIAJIHRDDFVCE-UHFFFAOYSA-N
XLogP2.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole (CID 87421777) is 1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole is FC(C(F)(F)F)C(F)(F)n1cccn1.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole?
The InChIKey is PAIAJIHRDDFVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N2/c7-4(5(8,9)10)6(11,12)14-3-1-2-13-14/h1-4H.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole?
1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole has a molecular weight of 218.10 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropyl)pyrazole is sourced from PubChem (CID 87421777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).