1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole

C9H11F3N2O — CID 130296981

IUPAC1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccnn1C1CCCCO1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-4-5-13-14(7)8-3-1-2-6-15-8/h4-5,8H,1-3,6H2
InChIKeyDHLCUYMSIRINQI-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.60
Rot. Bonds1

About 1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole

1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole (PubChem CID 130296981) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole
PubChem CID130296981
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccnn1C1CCCCO1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-4-5-13-14(7)8-3-1-2-6-15-8/h4-5,8H,1-3,6H2
InChIKeyDHLCUYMSIRINQI-UHFFFAOYSA-N
XLogP2.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole (CID 130296981) is 1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole is FC(F)(F)c1ccnn1C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole?
The InChIKey is DHLCUYMSIRINQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7-4-5-13-14(7)8-3-1-2-6-15-8/h4-5,8H,1-3,6H2.
What are the key properties of 1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole?
1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole has a molecular weight of 220.19 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 130296981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).