(2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine

C14H22F6N2 — CID 126614740

IUPAC(2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine
SMILESCC(CC1C[C@@H](C(F)(F)F)N(C)C1)N1CCC[C@@H]1C(F)(F)F
InChIInChI=1S/C14H22F6N2/c1-9(22-5-3-4-11(22)13(15,16)17)6-10-7-12(14(18,19)20)21(2)8-10/h9-12H,3-8H2,1-2H3/t9?,10?,11-,12+/m1/s1
InChIKeyGEZQEAYTIYDGPO-HCWSGVFWSA-N
MW332.33 g/mol
LogP3.67
Rot. Bonds3

About (2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine

(2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine (PubChem CID 126614740) has the molecular formula C14H22F6N2 and a molecular weight of 332.33 g/mol. Its IUPAC name is (2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine
PubChem CID126614740
Molecular FormulaC14H22F6N2
Molecular Weight332.33 g/mol
Exact Mass332.17
IUPAC Name(2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine
SMILESCC(CC1C[C@@H](C(F)(F)F)N(C)C1)N1CCC[C@@H]1C(F)(F)F
InChIInChI=1S/C14H22F6N2/c1-9(22-5-3-4-11(22)13(15,16)17)6-10-7-12(14(18,19)20)21(2)8-10/h9-12H,3-8H2,1-2H3/t9?,10?,11-,12+/m1/s1
InChIKeyGEZQEAYTIYDGPO-HCWSGVFWSA-N
XLogP3.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine (CID 126614740) is (2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine is CC(CC1C[C@@H](C(F)(F)F)N(C)C1)N1CCC[C@@H]1C(F)(F)F.
What is the InChIKey of (2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine?
The InChIKey is GEZQEAYTIYDGPO-HCWSGVFWSA-N. The full InChI is InChI=1S/C14H22F6N2/c1-9(22-5-3-4-11(22)13(15,16)17)6-10-7-12(14(18,19)20)21(2)8-10/h9-12H,3-8H2,1-2H3/t9?,10?,11-,12+/m1/s1.
What are the key properties of (2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine?
(2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine has a molecular weight of 332.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine is sourced from PubChem (CID 126614740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).