2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine

C9H13F6N — CID 106779737

IUPAC2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine
SMILESFC(F)(F)CCC1CCCC(C(F)(F)F)N1
InChIInChI=1S/C9H13F6N/c10-8(11,12)5-4-6-2-1-3-7(16-6)9(13,14)15/h6-7,16H,1-5H2
InChIKeyCUKKBVINLWYALJ-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.40
Rot. Bonds2

About 2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine

2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine (PubChem CID 106779737) has the molecular formula C9H13F6N and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine
PubChem CID106779737
Molecular FormulaC9H13F6N
Molecular Weight249.20 g/mol
Exact Mass249.10
IUPAC Name2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine
SMILESFC(F)(F)CCC1CCCC(C(F)(F)F)N1
InChIInChI=1S/C9H13F6N/c10-8(11,12)5-4-6-2-1-3-7(16-6)9(13,14)15/h6-7,16H,1-5H2
InChIKeyCUKKBVINLWYALJ-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine (CID 106779737) is 2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine is FC(F)(F)CCC1CCCC(C(F)(F)F)N1.
What is the InChIKey of 2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is CUKKBVINLWYALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N/c10-8(11,12)5-4-6-2-1-3-7(16-6)9(13,14)15/h6-7,16H,1-5H2.
What are the key properties of 2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine?
2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 249.20 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 106779737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).