2-methylpyrrolidine;2,2,2-trifluoroacetic acid

C7H12F3NO2 — CID 162105459

IUPAC2-methylpyrrolidine;2,2,2-trifluoroacetic acid
SMILESCC1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11N.C2HF3O2/c1-5-3-2-4-6-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)
InChIKeyZFLIRQYBSFFLNW-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.39
Rot. Bonds

About 2-methylpyrrolidine;2,2,2-trifluoroacetic acid

2-methylpyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 162105459) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-methylpyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methylpyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID162105459
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2-methylpyrrolidine;2,2,2-trifluoroacetic acid
SMILESCC1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11N.C2HF3O2/c1-5-3-2-4-6-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)
InChIKeyZFLIRQYBSFFLNW-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methylpyrrolidine;2,2,2-trifluoroacetic acid (CID 162105459) is 2-methylpyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methylpyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methylpyrrolidine;2,2,2-trifluoroacetic acid is CC1CCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methylpyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is ZFLIRQYBSFFLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2HF3O2/c1-5-3-2-4-6-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7).
What are the key properties of 2-methylpyrrolidine;2,2,2-trifluoroacetic acid?
2-methylpyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 199.17 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162105459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).