1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine

C9H14F3NO — CID 126975147

IUPAC1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(C[C@H]2CO2)CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)7-1-3-13(4-2-7)5-8-6-14-8/h7-8H,1-6H2/t8-/m0/s1
InChIKeyQQFPDOAZFYHCDV-QMMMGPOBSA-N
MW209.21 g/mol
LogP1.66
Rot. Bonds2

About 1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine

1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine (PubChem CID 126975147) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine
PubChem CID126975147
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(C[C@H]2CO2)CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)7-1-3-13(4-2-7)5-8-6-14-8/h7-8H,1-6H2/t8-/m0/s1
InChIKeyQQFPDOAZFYHCDV-QMMMGPOBSA-N
XLogP1.66
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine (CID 126975147) is 1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCN(C[C@H]2CO2)CC1.
What is the InChIKey of 1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is QQFPDOAZFYHCDV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)7-1-3-13(4-2-7)5-8-6-14-8/h7-8H,1-6H2/t8-/m0/s1.
What are the key properties of 1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine?
1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 209.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 126975147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).