1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid

C9H16F3NO2 — CID 174546292

IUPAC1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid
SMILESCCN1CCCC1C.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N.C2HF3O2/c1-3-8-6-4-5-7(8)2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7)
InChIKeyPNITVHLDYPSDDX-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.12
Rot. Bonds1

About 1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid

1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 174546292) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID174546292
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid
SMILESCCN1CCCC1C.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N.C2HF3O2/c1-3-8-6-4-5-7(8)2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7)
InChIKeyPNITVHLDYPSDDX-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid (CID 174546292) is 1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid is CCN1CCCC1C.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is PNITVHLDYPSDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2HF3O2/c1-3-8-6-4-5-7(8)2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7).
What are the key properties of 1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid?
1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 227.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174546292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).