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

C14H28F2N2O — CID 163932926

IUPAC3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine
SMILESCC(C)N1CCC(F)(F)C1.CC(C)N1CCOCC1
InChIInChI=1S/C7H13F2N.C7H15NO/c1-6(2)10-4-3-7(8,9)5-10;1-7(2)8-3-5-9-6-4-8/h6H,3-5H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyRKFVNKBWIUEUDX-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.46
Rot. Bonds2

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

3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine (PubChem CID 163932926) has the molecular formula C14H28F2N2O and a molecular weight of 278.39 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine
PubChem CID163932926
Molecular FormulaC14H28F2N2O
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine
SMILESCC(C)N1CCC(F)(F)C1.CC(C)N1CCOCC1
InChIInChI=1S/C7H13F2N.C7H15NO/c1-6(2)10-4-3-7(8,9)5-10;1-7(2)8-3-5-9-6-4-8/h6H,3-5H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyRKFVNKBWIUEUDX-UHFFFAOYSA-N
XLogP2.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.46
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-propan-2-ylmorpholine?
The IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine (CID 163932926) is 3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine is CC(C)N1CCC(F)(F)C1.CC(C)N1CCOCC1.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine?
The InChIKey is RKFVNKBWIUEUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.C7H15NO/c1-6(2)10-4-3-7(8,9)5-10;1-7(2)8-3-5-9-6-4-8/h6H,3-5H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine?
3,3-difluoro-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine has a molecular weight of 278.39 g/mol, XLogP of 2.46, 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-propan-2-ylmorpholine is sourced from PubChem (CID 163932926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).