1-ethylpiperidine;2,2,2-trifluoroacetic acid

C9H16F3NO2 — CID 22623625

IUPAC1-ethylpiperidine;2,2,2-trifluoroacetic acid
SMILESCCN1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N.C2HF3O2/c1-2-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7)
InChIKeySGPBNWYGIDTHJZ-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.13
Rot. Bonds1

About 1-ethylpiperidine;2,2,2-trifluoroacetic acid

1-ethylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 22623625) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-ethylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-ethylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID22623625
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1-ethylpiperidine;2,2,2-trifluoroacetic acid
SMILESCCN1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N.C2HF3O2/c1-2-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7)
InChIKeySGPBNWYGIDTHJZ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethylpiperidine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-ethylpiperidine;2,2,2-trifluoroacetic acid (CID 22623625) is 1-ethylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-ethylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-ethylpiperidine;2,2,2-trifluoroacetic acid is CCN1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is SGPBNWYGIDTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2HF3O2/c1-2-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h2-7H2,1H3;(H,6,7).
What are the key properties of 1-ethylpiperidine;2,2,2-trifluoroacetic acid?
1-ethylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 227.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22623625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).