2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine

C11H21F2NO — CID 58422614

IUPAC2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine
SMILESCC(C)C(F)(F)OCCC1CCCN1C
InChIInChI=1S/C11H21F2NO/c1-9(2)11(12,13)15-8-6-10-5-4-7-14(10)3/h9-10H,4-8H2,1-3H3
InChIKeyYKEHYWYKZIYKLV-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine

2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine (PubChem CID 58422614) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine
PubChem CID58422614
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine
SMILESCC(C)C(F)(F)OCCC1CCCN1C
InChIInChI=1S/C11H21F2NO/c1-9(2)11(12,13)15-8-6-10-5-4-7-14(10)3/h9-10H,4-8H2,1-3H3
InChIKeyYKEHYWYKZIYKLV-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine (CID 58422614) is 2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine is CC(C)C(F)(F)OCCC1CCCN1C.
What is the InChIKey of 2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine?
The InChIKey is YKEHYWYKZIYKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-9(2)11(12,13)15-8-6-10-5-4-7-14(10)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine?
2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine has a molecular weight of 221.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-difluoro-2-methylpropoxy)ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 58422614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).