3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole

C7H4F8N2 — CID 12640722

IUPAC3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
SMILESFC(F)C(F)(F)c1cc(C(F)(F)C(F)F)[nH]n1
InChIInChI=1S/C7H4F8N2/c8-4(9)6(12,13)2-1-3(17-16-2)7(14,15)5(10)11/h1,4-5H,(H,16,17)
InChIKeyCMTBQYDUVVYYPW-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.12
Rot. Bonds4

About 3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole

3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole (PubChem CID 12640722) has the molecular formula C7H4F8N2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
PubChem CID12640722
Molecular FormulaC7H4F8N2
Molecular Weight268.11 g/mol
Exact Mass268.02
IUPAC Name3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
SMILESFC(F)C(F)(F)c1cc(C(F)(F)C(F)F)[nH]n1
InChIInChI=1S/C7H4F8N2/c8-4(9)6(12,13)2-1-3(17-16-2)7(14,15)5(10)11/h1,4-5H,(H,16,17)
InChIKeyCMTBQYDUVVYYPW-UHFFFAOYSA-N
XLogP3.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole?
The IUPAC name of 3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole (CID 12640722) is 3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole.
What is the SMILES notation for 3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole?
The canonical SMILES for 3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole is FC(F)C(F)(F)c1cc(C(F)(F)C(F)F)[nH]n1.
What is the InChIKey of 3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole?
The InChIKey is CMTBQYDUVVYYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F8N2/c8-4(9)6(12,13)2-1-3(17-16-2)7(14,15)5(10)11/h1,4-5H,(H,16,17).
What are the key properties of 3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole?
3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole has a molecular weight of 268.11 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-pyrazole is sourced from PubChem (CID 12640722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).