(2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide

C13H23F3N2O — CID 99108294

IUPAC(2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESC[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-9-5-6-10(2)18(9)11(3)12(19)17(4)8-7-13(14,15)16/h9-11H,5-8H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyHBDFAKOPWKXXOL-OUAUKWLOSA-N
MW280.33 g/mol
LogP2.66
Rot. Bonds4

About (2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide

(2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 99108294) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is (2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID99108294
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name(2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESC[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-9-5-6-10(2)18(9)11(3)12(19)17(4)8-7-13(14,15)16/h9-11H,5-8H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyHBDFAKOPWKXXOL-OUAUKWLOSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of (2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide (CID 99108294) is (2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for (2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for (2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide is C[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)N(C)CCC(F)(F)F.
What is the InChIKey of (2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is HBDFAKOPWKXXOL-OUAUKWLOSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-9-5-6-10(2)18(9)11(3)12(19)17(4)8-7-13(14,15)16/h9-11H,5-8H2,1-4H3/t9-,10+,11-/m1/s1.
What are the key properties of (2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
(2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 99108294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).