3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid

C10H16F3NO3 — CID 174573372

IUPAC3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid
SMILESC=CCOC1CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO.C2HF3O2/c1-2-6-10-8-4-3-5-9-7-8;3-2(4,5)1(6)7/h2,8-9H,1,3-7H2;(H,6,7)
InChIKeyKDJLTEQOFKPFTP-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.57
Rot. Bonds3

About 3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid

3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid (PubChem CID 174573372) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid
PubChem CID174573372
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid
SMILESC=CCOC1CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO.C2HF3O2/c1-2-6-10-8-4-3-5-9-7-8;3-2(4,5)1(6)7/h2,8-9H,1,3-7H2;(H,6,7)
InChIKeyKDJLTEQOFKPFTP-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid (CID 174573372) is 3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid is C=CCOC1CCCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is KDJLTEQOFKPFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2HF3O2/c1-2-6-10-8-4-3-5-9-7-8;3-2(4,5)1(6)7/h2,8-9H,1,3-7H2;(H,6,7).
What are the key properties of 3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid?
3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174573372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).