1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine

C11H9F12N — CID 166661099

IUPAC1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C(=C(C(F)(F)F)C(F)(F)F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H9F12N/c12-8(13,14)5-1-3-24(4-2-5)7(11(21,22)23)6(9(15,16)17)10(18,19)20/h5H,1-4H2
InChIKeyHAFZNNNEUDXOCQ-UHFFFAOYSA-N
MW383.18 g/mol
LogP5.20
Rot. Bonds1

About 1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine

1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine (PubChem CID 166661099) has the molecular formula C11H9F12N and a molecular weight of 383.18 g/mol. Its IUPAC name is 1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine
PubChem CID166661099
Molecular FormulaC11H9F12N
Molecular Weight383.18 g/mol
Exact Mass383.05
IUPAC Name1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C(=C(C(F)(F)F)C(F)(F)F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H9F12N/c12-8(13,14)5-1-3-24(4-2-5)7(11(21,22)23)6(9(15,16)17)10(18,19)20/h5H,1-4H2
InChIKeyHAFZNNNEUDXOCQ-UHFFFAOYSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.18
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine (CID 166661099) is 1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine is FC(F)(F)C(=C(C(F)(F)F)C(F)(F)F)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine?
The InChIKey is HAFZNNNEUDXOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F12N/c12-8(13,14)5-1-3-24(4-2-5)7(11(21,22)23)6(9(15,16)17)10(18,19)20/h5H,1-4H2.
What are the key properties of 1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine?
1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine has a molecular weight of 383.18 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 166661099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).