1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine

C11H10F11N — CID 12686761

IUPAC1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine
SMILESFC(F)(F)C(=C(N1CCCCC1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F11N/c12-8(13,11(20,21)22)7(23-4-2-1-3-5-23)6(9(14,15)16)10(17,18)19/h1-5H2
InChIKeyGAIDVYPHYKLTNI-UHFFFAOYSA-N
MW365.19 g/mol
LogP5.05
Rot. Bonds2

About 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine

1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine (PubChem CID 12686761) has the molecular formula C11H10F11N and a molecular weight of 365.19 g/mol. Its IUPAC name is 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine.

Molecular Properties

Compound Name1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine
PubChem CID12686761
Molecular FormulaC11H10F11N
Molecular Weight365.19 g/mol
Exact Mass365.06
IUPAC Name1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine
SMILESFC(F)(F)C(=C(N1CCCCC1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F11N/c12-8(13,11(20,21)22)7(23-4-2-1-3-5-23)6(9(14,15)16)10(17,18)19/h1-5H2
InChIKeyGAIDVYPHYKLTNI-UHFFFAOYSA-N
XLogP5.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.19
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine?
The IUPAC name of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine (CID 12686761) is 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine.
What is the SMILES notation for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine?
The canonical SMILES for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine is FC(F)(F)C(=C(N1CCCCC1)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine?
The InChIKey is GAIDVYPHYKLTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F11N/c12-8(13,11(20,21)22)7(23-4-2-1-3-5-23)6(9(14,15)16)10(17,18)19/h1-5H2.
What are the key properties of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine?
1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine has a molecular weight of 365.19 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine is sourced from PubChem (CID 12686761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).