(2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid

C10H16F3NO2 — CID 16756363

IUPAC(2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid
SMILESC=CC[C@@H]1CCCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15N.C2HF3O2/c1-2-5-8-6-3-4-7-9-8;3-2(4,5)1(6)7/h2,8-9H,1,3-7H2;(H,6,7)/t8-;/m1./s1
InChIKeyGZRUBKXJLSOYAB-DDWIOCJRSA-N
MW239.24 g/mol
LogP2.34
Rot. Bonds2

About (2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid

(2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 16756363) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is (2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID16756363
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name(2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid
SMILESC=CC[C@@H]1CCCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15N.C2HF3O2/c1-2-5-8-6-3-4-7-9-8;3-2(4,5)1(6)7/h2,8-9H,1,3-7H2;(H,6,7)/t8-;/m1./s1
InChIKeyGZRUBKXJLSOYAB-DDWIOCJRSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid (CID 16756363) is (2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid is C=CC[C@@H]1CCCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is GZRUBKXJLSOYAB-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H15N.C2HF3O2/c1-2-5-8-6-3-4-7-9-8;3-2(4,5)1(6)7/h2,8-9H,1,3-7H2;(H,6,7)/t8-;/m1./s1.
What are the key properties of (2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid?
(2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 239.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-2-enylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 16756363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).