2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide

C8H13F3N2O — CID 162581721

IUPAC2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide
SMILESCN1CCC[C@H]1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-13-4-2-3-6(13)5-12-7(14)8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyFSSZGCRMGJCMPL-LURJTMIESA-N
MW210.20 g/mol
LogP0.76
Rot. Bonds2

About 2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide

2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide (PubChem CID 162581721) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide
PubChem CID162581721
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide
SMILESCN1CCC[C@H]1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-13-4-2-3-6(13)5-12-7(14)8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyFSSZGCRMGJCMPL-LURJTMIESA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide (CID 162581721) is 2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide is CN1CCC[C@H]1CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide?
The InChIKey is FSSZGCRMGJCMPL-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-13-4-2-3-6(13)5-12-7(14)8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide has a molecular weight of 210.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 162581721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).