2-methoxy-5-(trifluoromethyl)piperidine

C7H12F3NO — CID 153178621

IUPAC2-methoxy-5-(trifluoromethyl)piperidine
SMILESCOC1CCC(C(F)(F)F)CN1
InChIInChI=1S/C7H12F3NO/c1-12-6-3-2-5(4-11-6)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyWFSBTCXPUWNWSK-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.52
Rot. Bonds1

About 2-methoxy-5-(trifluoromethyl)piperidine

2-methoxy-5-(trifluoromethyl)piperidine (PubChem CID 153178621) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-methoxy-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-methoxy-5-(trifluoromethyl)piperidine
PubChem CID153178621
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-methoxy-5-(trifluoromethyl)piperidine
SMILESCOC1CCC(C(F)(F)F)CN1
InChIInChI=1S/C7H12F3NO/c1-12-6-3-2-5(4-11-6)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyWFSBTCXPUWNWSK-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-methoxy-5-(trifluoromethyl)piperidine (CID 153178621) is 2-methoxy-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-methoxy-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-methoxy-5-(trifluoromethyl)piperidine is COC1CCC(C(F)(F)F)CN1.
What is the InChIKey of 2-methoxy-5-(trifluoromethyl)piperidine?
The InChIKey is WFSBTCXPUWNWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-12-6-3-2-5(4-11-6)7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 2-methoxy-5-(trifluoromethyl)piperidine?
2-methoxy-5-(trifluoromethyl)piperidine has a molecular weight of 183.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 153178621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).