(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

C11H21F2NO — CID 171415852

IUPAC(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESC[C@H](OC(C)(C)C)[C@H]1N(C)CCC1(F)F
InChIInChI=1S/C11H21F2NO/c1-8(15-10(2,3)4)9-11(12,13)6-7-14(9)5/h8-9H,6-7H2,1-5H3/t8-,9+/m0/s1
InChIKeySWNUPVQLNQXHAD-DTWKUNHWSA-N
MW221.29 g/mol
LogP2.53
Rot. Bonds2

About (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (PubChem CID 171415852) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
PubChem CID171415852
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESC[C@H](OC(C)(C)C)[C@H]1N(C)CCC1(F)F
InChIInChI=1S/C11H21F2NO/c1-8(15-10(2,3)4)9-11(12,13)6-7-14(9)5/h8-9H,6-7H2,1-5H3/t8-,9+/m0/s1
InChIKeySWNUPVQLNQXHAD-DTWKUNHWSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The IUPAC name of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (CID 171415852) is (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.
What is the SMILES notation for (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The canonical SMILES for (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is C[C@H](OC(C)(C)C)[C@H]1N(C)CCC1(F)F.
What is the InChIKey of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The InChIKey is SWNUPVQLNQXHAD-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-8(15-10(2,3)4)9-11(12,13)6-7-14(9)5/h8-9H,6-7H2,1-5H3/t8-,9+/m0/s1.
What are the key properties of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine has a molecular weight of 221.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is sourced from PubChem (CID 171415852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).