2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine

C14H26F2N2O — CID 176573741

IUPAC2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C2CC(F)(F)CN2C(C)C)C1
InChIInChI=1S/C14H26F2N2O/c1-10(2)17-5-6-19-13(8-17)12-7-14(15,16)9-18(12)11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyXQQPQPKCFFRSME-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.21
Rot. Bonds3

About 2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine

2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine (PubChem CID 176573741) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine
PubChem CID176573741
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC Name2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C2CC(F)(F)CN2C(C)C)C1
InChIInChI=1S/C14H26F2N2O/c1-10(2)17-5-6-19-13(8-17)12-7-14(15,16)9-18(12)11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyXQQPQPKCFFRSME-UHFFFAOYSA-N
XLogP2.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine (CID 176573741) is 2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(C2CC(F)(F)CN2C(C)C)C1.
What is the InChIKey of 2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine?
The InChIKey is XQQPQPKCFFRSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O/c1-10(2)17-5-6-19-13(8-17)12-7-14(15,16)9-18(12)11(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine?
2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine has a molecular weight of 276.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 176573741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).