2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine

C11H21F2NO — CID 171415568

IUPAC2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1[C@@H](OC(C)(C)C)C(F)F
InChIInChI=1S/C11H21F2NO/c1-11(2,3)15-9(10(12)13)8-6-5-7-14(8)4/h8-10H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyZXVGOVMYWLYGOX-YGPZHTELSA-N
MW221.29 g/mol
LogP2.53
Rot. Bonds3

About 2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine

2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine (PubChem CID 171415568) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine
PubChem CID171415568
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1[C@@H](OC(C)(C)C)C(F)F
InChIInChI=1S/C11H21F2NO/c1-11(2,3)15-9(10(12)13)8-6-5-7-14(8)4/h8-10H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyZXVGOVMYWLYGOX-YGPZHTELSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine (CID 171415568) is 2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine is CN1CCCC1[C@@H](OC(C)(C)C)C(F)F.
What is the InChIKey of 2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine?
The InChIKey is ZXVGOVMYWLYGOX-YGPZHTELSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-11(2,3)15-9(10(12)13)8-6-5-7-14(8)4/h8-10H,5-7H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of 2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine?
2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine has a molecular weight of 221.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 171415568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).