4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane

C13H23F2N3O — CID 144664961

IUPAC4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane
SMILESCC.Cc1ccn(CC(F)(F)CN2CCOCC2)n1
InChIInChI=1S/C11H17F2N3O.C2H6/c1-10-2-3-16(14-10)9-11(12,13)8-15-4-6-17-7-5-15;1-2/h2-3H,4-9H2,1H3;1-2H3
InChIKeyZWMIWESXPWTQMC-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.19
Rot. Bonds4

About 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane

4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane (PubChem CID 144664961) has the molecular formula C13H23F2N3O and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane.

Molecular Properties

Compound Name4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane
PubChem CID144664961
Molecular FormulaC13H23F2N3O
Molecular Weight275.34 g/mol
Exact Mass275.18
IUPAC Name4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane
SMILESCC.Cc1ccn(CC(F)(F)CN2CCOCC2)n1
InChIInChI=1S/C11H17F2N3O.C2H6/c1-10-2-3-16(14-10)9-11(12,13)8-15-4-6-17-7-5-15;1-2/h2-3H,4-9H2,1H3;1-2H3
InChIKeyZWMIWESXPWTQMC-UHFFFAOYSA-N
XLogP2.19
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane?
The IUPAC name of 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane (CID 144664961) is 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane.
What is the SMILES notation for 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane?
The canonical SMILES for 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane is CC.Cc1ccn(CC(F)(F)CN2CCOCC2)n1.
What is the InChIKey of 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane?
The InChIKey is ZWMIWESXPWTQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O.C2H6/c1-10-2-3-16(14-10)9-11(12,13)8-15-4-6-17-7-5-15;1-2/h2-3H,4-9H2,1H3;1-2H3.
What are the key properties of 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane?
4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane has a molecular weight of 275.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane is sourced from PubChem (CID 144664961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).