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

C11H8F4N2 — CID 871478

IUPAC3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
SMILESFC(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H8F4N2/c12-10(13)11(14,15)9-6-8(16-17-9)7-4-2-1-3-5-7/h1-6,10H,(H,16,17)
InChIKeyNOPKFXHQVXSWBL-UHFFFAOYSA-N
MW244.19 g/mol
LogP3.43
Rot. Bonds3

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

3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole (PubChem CID 871478) has the molecular formula C11H8F4N2 and a molecular weight of 244.19 g/mol. Its IUPAC name is 3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
PubChem CID871478
Molecular FormulaC11H8F4N2
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
SMILESFC(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H8F4N2/c12-10(13)11(14,15)9-6-8(16-17-9)7-4-2-1-3-5-7/h1-6,10H,(H,16,17)
InChIKeyNOPKFXHQVXSWBL-UHFFFAOYSA-N
XLogP3.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 53.43
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-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole?
The IUPAC name of 3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole (CID 871478) is 3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole.
What is the SMILES notation for 3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole?
The canonical SMILES for 3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole is FC(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole?
The InChIKey is NOPKFXHQVXSWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2/c12-10(13)11(14,15)9-6-8(16-17-9)7-4-2-1-3-5-7/h1-6,10H,(H,16,17).
What are the key properties of 3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole?
3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole has a molecular weight of 244.19 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole is sourced from PubChem (CID 871478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).