1-[2-(trifluoromethyl)phenoxy]pyrazole

C10H7F3N2O — CID 173196006

IUPAC1-[2-(trifluoromethyl)phenoxy]pyrazole
SMILESFC(F)(F)c1ccccc1On1cccn1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-4-1-2-5-9(8)16-15-7-3-6-14-15/h1-7H
InChIKeyBOIUYOCMYMUWKZ-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.74
Rot. Bonds2

About 1-[2-(trifluoromethyl)phenoxy]pyrazole

1-[2-(trifluoromethyl)phenoxy]pyrazole (PubChem CID 173196006) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenoxy]pyrazole.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenoxy]pyrazole
PubChem CID173196006
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name1-[2-(trifluoromethyl)phenoxy]pyrazole
SMILESFC(F)(F)c1ccccc1On1cccn1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-4-1-2-5-9(8)16-15-7-3-6-14-15/h1-7H
InChIKeyBOIUYOCMYMUWKZ-UHFFFAOYSA-N
XLogP2.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenoxy]pyrazole?
The IUPAC name of 1-[2-(trifluoromethyl)phenoxy]pyrazole (CID 173196006) is 1-[2-(trifluoromethyl)phenoxy]pyrazole.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenoxy]pyrazole?
The canonical SMILES for 1-[2-(trifluoromethyl)phenoxy]pyrazole is FC(F)(F)c1ccccc1On1cccn1.
What is the InChIKey of 1-[2-(trifluoromethyl)phenoxy]pyrazole?
The InChIKey is BOIUYOCMYMUWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)8-4-1-2-5-9(8)16-15-7-3-6-14-15/h1-7H.
What are the key properties of 1-[2-(trifluoromethyl)phenoxy]pyrazole?
1-[2-(trifluoromethyl)phenoxy]pyrazole has a molecular weight of 228.17 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenoxy]pyrazole is sourced from PubChem (CID 173196006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).