1-(1,2,2,2-tetrafluoroethyl)pyrazole

C5H4F4N2 — CID 67379177

IUPAC1-(1,2,2,2-tetrafluoroethyl)pyrazole
SMILESFC(n1cccn1)C(F)(F)F
InChIInChI=1S/C5H4F4N2/c6-4(5(7,8)9)11-3-1-2-10-11/h1-4H
InChIKeyNQQYLTAETZKMPX-UHFFFAOYSA-N
MW168.09 g/mol
LogP1.91
Rot. Bonds1

About 1-(1,2,2,2-tetrafluoroethyl)pyrazole

1-(1,2,2,2-tetrafluoroethyl)pyrazole (PubChem CID 67379177) has the molecular formula C5H4F4N2 and a molecular weight of 168.09 g/mol. Its IUPAC name is 1-(1,2,2,2-tetrafluoroethyl)pyrazole.

Molecular Properties

Compound Name1-(1,2,2,2-tetrafluoroethyl)pyrazole
PubChem CID67379177
Molecular FormulaC5H4F4N2
Molecular Weight168.09 g/mol
Exact Mass168.03
IUPAC Name1-(1,2,2,2-tetrafluoroethyl)pyrazole
SMILESFC(n1cccn1)C(F)(F)F
InChIInChI=1S/C5H4F4N2/c6-4(5(7,8)9)11-3-1-2-10-11/h1-4H
InChIKeyNQQYLTAETZKMPX-UHFFFAOYSA-N
XLogP1.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.09
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,2-tetrafluoroethyl)pyrazole?
The IUPAC name of 1-(1,2,2,2-tetrafluoroethyl)pyrazole (CID 67379177) is 1-(1,2,2,2-tetrafluoroethyl)pyrazole.
What is the SMILES notation for 1-(1,2,2,2-tetrafluoroethyl)pyrazole?
The canonical SMILES for 1-(1,2,2,2-tetrafluoroethyl)pyrazole is FC(n1cccn1)C(F)(F)F.
What is the InChIKey of 1-(1,2,2,2-tetrafluoroethyl)pyrazole?
The InChIKey is NQQYLTAETZKMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N2/c6-4(5(7,8)9)11-3-1-2-10-11/h1-4H.
What are the key properties of 1-(1,2,2,2-tetrafluoroethyl)pyrazole?
1-(1,2,2,2-tetrafluoroethyl)pyrazole has a molecular weight of 168.09 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,2-tetrafluoroethyl)pyrazole is sourced from PubChem (CID 67379177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).