1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole

C11H6F6N2O — CID 91447003

IUPAC1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole
SMILESFC(F)(F)c1cccc(C(F)(F)F)c1On1cccn1
InChIInChI=1S/C11H6F6N2O/c12-10(13,14)7-3-1-4-8(11(15,16)17)9(7)20-19-6-2-5-18-19/h1-6H
InChIKeyHRLXGQJSOLMHDI-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.76
Rot. Bonds2

About 1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole

1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole (PubChem CID 91447003) has the molecular formula C11H6F6N2O and a molecular weight of 296.17 g/mol. Its IUPAC name is 1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole.

Molecular Properties

Compound Name1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole
PubChem CID91447003
Molecular FormulaC11H6F6N2O
Molecular Weight296.17 g/mol
Exact Mass296.04
IUPAC Name1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole
SMILESFC(F)(F)c1cccc(C(F)(F)F)c1On1cccn1
InChIInChI=1S/C11H6F6N2O/c12-10(13,14)7-3-1-4-8(11(15,16)17)9(7)20-19-6-2-5-18-19/h1-6H
InChIKeyHRLXGQJSOLMHDI-UHFFFAOYSA-N
XLogP3.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole?
The IUPAC name of 1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole (CID 91447003) is 1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole.
What is the SMILES notation for 1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole?
The canonical SMILES for 1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole is FC(F)(F)c1cccc(C(F)(F)F)c1On1cccn1.
What is the InChIKey of 1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole?
The InChIKey is HRLXGQJSOLMHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2O/c12-10(13,14)7-3-1-4-8(11(15,16)17)9(7)20-19-6-2-5-18-19/h1-6H.
What are the key properties of 1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole?
1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole has a molecular weight of 296.17 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(trifluoromethyl)phenoxy]pyrazole is sourced from PubChem (CID 91447003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).