(2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine

C11H20F2N2 — CID 167009772

IUPAC(2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine
SMILESC[C@@H]1CC(N2CCC(F)(F)C2)[C@@H](C)N1C
InChIInChI=1S/C11H20F2N2/c1-8-6-10(9(2)14(8)3)15-5-4-11(12,13)7-15/h8-10H,4-7H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyUJFPLFJDFYSKJC-MGRQHWMJSA-N
MW218.29 g/mol
LogP1.81
Rot. Bonds1

About (2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine

(2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine (PubChem CID 167009772) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is (2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine
PubChem CID167009772
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name(2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine
SMILESC[C@@H]1CC(N2CCC(F)(F)C2)[C@@H](C)N1C
InChIInChI=1S/C11H20F2N2/c1-8-6-10(9(2)14(8)3)15-5-4-11(12,13)7-15/h8-10H,4-7H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyUJFPLFJDFYSKJC-MGRQHWMJSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine?
The IUPAC name of (2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine (CID 167009772) is (2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine.
What is the SMILES notation for (2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine?
The canonical SMILES for (2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine is C[C@@H]1CC(N2CCC(F)(F)C2)[C@@H](C)N1C.
What is the InChIKey of (2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine?
The InChIKey is UJFPLFJDFYSKJC-MGRQHWMJSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-8-6-10(9(2)14(8)3)15-5-4-11(12,13)7-15/h8-10H,4-7H2,1-3H3/t8-,9-,10?/m1/s1.
What are the key properties of (2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine?
(2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine has a molecular weight of 218.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine is sourced from PubChem (CID 167009772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).