4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine

C9H12F3N3O — CID 141218910

IUPAC4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine
SMILESFC(F)(F)Cn1cc(N2CCOCC2)cn1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-15-6-8(5-13-15)14-1-3-16-4-2-14/h5-6H,1-4,7H2
InChIKeyWBVSNGHKFJCLJH-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.28
Rot. Bonds2

About 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine

4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine (PubChem CID 141218910) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine
PubChem CID141218910
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine
SMILESFC(F)(F)Cn1cc(N2CCOCC2)cn1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-15-6-8(5-13-15)14-1-3-16-4-2-14/h5-6H,1-4,7H2
InChIKeyWBVSNGHKFJCLJH-UHFFFAOYSA-N
XLogP1.28
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
The IUPAC name of 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine (CID 141218910) is 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine.
What is the SMILES notation for 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
The canonical SMILES for 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine is FC(F)(F)Cn1cc(N2CCOCC2)cn1.
What is the InChIKey of 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
The InChIKey is WBVSNGHKFJCLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)7-15-6-8(5-13-15)14-1-3-16-4-2-14/h5-6H,1-4,7H2.
What are the key properties of 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine has a molecular weight of 235.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine is sourced from PubChem (CID 141218910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).