4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole

C16H11F3N2O — CID 117229185

IUPAC4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccccc1-n1cc(Oc2ccccc2)cn1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-8-4-5-9-15(14)21-11-13(10-20-21)22-12-6-2-1-3-7-12/h1-11H
InChIKeyKORGFALAWITELE-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.68
Rot. Bonds3

About 4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole

4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole (PubChem CID 117229185) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole
PubChem CID117229185
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccccc1-n1cc(Oc2ccccc2)cn1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-8-4-5-9-15(14)21-11-13(10-20-21)22-12-6-2-1-3-7-12/h1-11H
InChIKeyKORGFALAWITELE-UHFFFAOYSA-N
XLogP4.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole (CID 117229185) is 4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1ccccc1-n1cc(Oc2ccccc2)cn1.
What is the InChIKey of 4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is KORGFALAWITELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)14-8-4-5-9-15(14)21-11-13(10-20-21)22-12-6-2-1-3-7-12/h1-11H.
What are the key properties of 4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole?
4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 304.27 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-[2-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 117229185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).