1-(2,2,2-trifluoroethyl)pyrazole

C5H5F3N2 — CID 22747510

IUPAC1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1cccn1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)4-10-3-1-2-9-10/h1-3H,4H2
InChIKeyDNHVFNDOHJKATM-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.45
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 22747510) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID22747510
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1cccn1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)4-10-3-1-2-9-10/h1-3H,4H2
InChIKeyDNHVFNDOHJKATM-UHFFFAOYSA-N
XLogP1.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazole (CID 22747510) is 1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrazole is FC(F)(F)Cn1cccn1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is DNHVFNDOHJKATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c6-5(7,8)4-10-3-1-2-9-10/h1-3H,4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrazole?
1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 150.10 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 22747510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).