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

C11H8F4N2 — CID 167981812

IUPAC5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole
SMILESFC(c1cccc(-c2ccn[nH]2)c1)C(F)(F)F
InChIInChI=1S/C11H8F4N2/c12-10(11(13,14)15)8-3-1-2-7(6-8)9-4-5-16-17-9/h1-6,10H,(H,16,17)
InChIKeyHNYAPANOGZUEEK-UHFFFAOYSA-N
MW244.19 g/mol
LogP3.65
Rot. Bonds2

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

5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole (PubChem CID 167981812) has the molecular formula C11H8F4N2 and a molecular weight of 244.19 g/mol. Its IUPAC name is 5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole
PubChem CID167981812
Molecular FormulaC11H8F4N2
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole
SMILESFC(c1cccc(-c2ccn[nH]2)c1)C(F)(F)F
InChIInChI=1S/C11H8F4N2/c12-10(11(13,14)15)8-3-1-2-7(6-8)9-4-5-16-17-9/h1-6,10H,(H,16,17)
InChIKeyHNYAPANOGZUEEK-UHFFFAOYSA-N
XLogP3.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole (CID 167981812) is 5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole is FC(c1cccc(-c2ccn[nH]2)c1)C(F)(F)F.
What is the InChIKey of 5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole?
The InChIKey is HNYAPANOGZUEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2/c12-10(11(13,14)15)8-3-1-2-7(6-8)9-4-5-16-17-9/h1-6,10H,(H,16,17).
What are the key properties of 5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole?
5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole has a molecular weight of 244.19 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 167981812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).