3,3,4,5-tetrakis(trifluoromethyl)pyrazole

C7F12N2 — CID 23235438

IUPAC3,3,4,5-tetrakis(trifluoromethyl)pyrazole
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)N=N1
InChIInChI=1S/C7F12N2/c8-4(9,10)1-2(5(11,12)13)20-21-3(1,6(14,15)16)7(17,18)19
InChIKeyFUMXDVACRQOQQS-UHFFFAOYSA-N
MW340.07 g/mol
LogP4.69
Rot. Bonds

About 3,3,4,5-tetrakis(trifluoromethyl)pyrazole

3,3,4,5-tetrakis(trifluoromethyl)pyrazole (PubChem CID 23235438) has the molecular formula C7F12N2 and a molecular weight of 340.07 g/mol. Its IUPAC name is 3,3,4,5-tetrakis(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3,3,4,5-tetrakis(trifluoromethyl)pyrazole
PubChem CID23235438
Molecular FormulaC7F12N2
Molecular Weight340.07 g/mol
Exact Mass339.99
IUPAC Name3,3,4,5-tetrakis(trifluoromethyl)pyrazole
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)N=N1
InChIInChI=1S/C7F12N2/c8-4(9,10)1-2(5(11,12)13)20-21-3(1,6(14,15)16)7(17,18)19
InChIKeyFUMXDVACRQOQQS-UHFFFAOYSA-N
XLogP4.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.07
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetrakis(trifluoromethyl)pyrazole?
The IUPAC name of 3,3,4,5-tetrakis(trifluoromethyl)pyrazole (CID 23235438) is 3,3,4,5-tetrakis(trifluoromethyl)pyrazole.
What is the SMILES notation for 3,3,4,5-tetrakis(trifluoromethyl)pyrazole?
The canonical SMILES for 3,3,4,5-tetrakis(trifluoromethyl)pyrazole is FC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)N=N1.
What is the InChIKey of 3,3,4,5-tetrakis(trifluoromethyl)pyrazole?
The InChIKey is FUMXDVACRQOQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12N2/c8-4(9,10)1-2(5(11,12)13)20-21-3(1,6(14,15)16)7(17,18)19.
What are the key properties of 3,3,4,5-tetrakis(trifluoromethyl)pyrazole?
3,3,4,5-tetrakis(trifluoromethyl)pyrazole has a molecular weight of 340.07 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetrakis(trifluoromethyl)pyrazole is sourced from PubChem (CID 23235438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).