2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid

C12H21F3N2O2 — CID 68600649

IUPAC2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid
SMILESCC1(C)CCCN1C1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2.C2HF3O2/c1-10(2)5-3-7-12(10)9-4-6-11-8-9;3-2(4,5)1(6)7/h9,11H,3-8H2,1-2H3;(H,6,7)
InChIKeyFUKCLASBYRYPFI-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.86
Rot. Bonds1

About 2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid

2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 68600649) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID68600649
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid
SMILESCC1(C)CCCN1C1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2.C2HF3O2/c1-10(2)5-3-7-12(10)9-4-6-11-8-9;3-2(4,5)1(6)7/h9,11H,3-8H2,1-2H3;(H,6,7)
InChIKeyFUKCLASBYRYPFI-UHFFFAOYSA-N
XLogP1.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid (CID 68600649) is 2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid is CC1(C)CCCN1C1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is FUKCLASBYRYPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C2HF3O2/c1-10(2)5-3-7-12(10)9-4-6-11-8-9;3-2(4,5)1(6)7/h9,11H,3-8H2,1-2H3;(H,6,7).
What are the key properties of 2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid?
2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 282.31 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68600649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).