3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide

C8H15F3N2O — CID 144537745

IUPAC3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide
SMILESCC1CCNC1.CNC(=O)C(F)(F)F
InChIInChI=1S/C5H11N.C3H4F3NO/c1-5-2-3-6-4-5;1-7-2(8)3(4,5)6/h5-6H,2-4H2,1H3;1H3,(H,7,8)
InChIKeyNARAIPFXHDGTRC-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.91
Rot. Bonds

About 3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide

3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide (PubChem CID 144537745) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound Name3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide
PubChem CID144537745
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide
SMILESCC1CCNC1.CNC(=O)C(F)(F)F
InChIInChI=1S/C5H11N.C3H4F3NO/c1-5-2-3-6-4-5;1-7-2(8)3(4,5)6/h5-6H,2-4H2,1H3;1H3,(H,7,8)
InChIKeyNARAIPFXHDGTRC-UHFFFAOYSA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of 3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide (CID 144537745) is 3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for 3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for 3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide is CC1CCNC1.CNC(=O)C(F)(F)F.
What is the InChIKey of 3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide?
The InChIKey is NARAIPFXHDGTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H4F3NO/c1-5-2-3-6-4-5;1-7-2(8)3(4,5)6/h5-6H,2-4H2,1H3;1H3,(H,7,8).
What are the key properties of 3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide?
3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide has a molecular weight of 212.21 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 144537745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).