3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine

C13H26F2N2O — CID 176573902

IUPAC3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine
SMILESCC(C)N1CCC(F)(F)C1.CCN1CCOCC1
InChIInChI=1S/C7H13F2N.C6H13NO/c1-6(2)10-4-3-7(8,9)5-10;1-2-7-3-5-8-6-4-7/h6H,3-5H2,1-2H3;2-6H2,1H3
InChIKeyNXMAHOZTTOXVTM-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.07
Rot. Bonds2

About 3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine

3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine (PubChem CID 176573902) has the molecular formula C13H26F2N2O and a molecular weight of 264.36 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine
PubChem CID176573902
Molecular FormulaC13H26F2N2O
Molecular Weight264.36 g/mol
Exact Mass264.20
IUPAC Name3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine
SMILESCC(C)N1CCC(F)(F)C1.CCN1CCOCC1
InChIInChI=1S/C7H13F2N.C6H13NO/c1-6(2)10-4-3-7(8,9)5-10;1-2-7-3-5-8-6-4-7/h6H,3-5H2,1-2H3;2-6H2,1H3
InChIKeyNXMAHOZTTOXVTM-UHFFFAOYSA-N
XLogP2.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine?
The IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine (CID 176573902) is 3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine is CC(C)N1CCC(F)(F)C1.CCN1CCOCC1.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine?
The InChIKey is NXMAHOZTTOXVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.C6H13NO/c1-6(2)10-4-3-7(8,9)5-10;1-2-7-3-5-8-6-4-7/h6H,3-5H2,1-2H3;2-6H2,1H3.
What are the key properties of 3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine?
3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine has a molecular weight of 264.36 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethylmorpholine is sourced from PubChem (CID 176573902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).