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

C12H9F14N — CID 148985930

IUPAC1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C(=C(N1CCC(C(F)(F)F)CC1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H9F14N/c13-8(14,12(24,25)26)7(6(10(18,19)20)11(21,22)23)27-3-1-5(2-4-27)9(15,16)17/h5H,1-4H2
InChIKeyPWQZMGUVOBGVEA-UHFFFAOYSA-N
MW433.18 g/mol
LogP5.84
Rot. Bonds2

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

1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine (PubChem CID 148985930) has the molecular formula C12H9F14N and a molecular weight of 433.18 g/mol. Its IUPAC name is 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine
PubChem CID148985930
Molecular FormulaC12H9F14N
Molecular Weight433.18 g/mol
Exact Mass433.05
IUPAC Name1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C(=C(N1CCC(C(F)(F)F)CC1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H9F14N/c13-8(14,12(24,25)26)7(6(10(18,19)20)11(21,22)23)27-3-1-5(2-4-27)9(15,16)17/h5H,1-4H2
InChIKeyPWQZMGUVOBGVEA-UHFFFAOYSA-N
XLogP5.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.18
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]piperidine
CID 12686761
1-[3,3,4,4,5,5-Hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine
CID 13196957
5,5-Difluoro-1-methyl-2-propan-2-ylidenepiperidine
CID 89209701
4,4-Difluoro-1-methyl-2-propan-2-ylidenepiperidine
CID 89210066
1-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine
CID 118673880
1-[1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-3,5-bis(trifluoromethyl)piperidine
CID 146857948
1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine
CID 147089015
1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]piperidine
CID 148458865
1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-3,5-bis(trifluoromethyl)piperidine
CID 152840863
1-[1,1,1,4,4,4-Hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-3,5-bis(trifluoromethyl)piperidine
CID 166661056
1-[1,1,1,4,4,4-Hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine
CID 166661099
1-(2,3,3,4,4,5,5-Heptafluorocyclopenten-1-yl)piperidine
CID 101266096

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]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine (CID 148985930) is 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine is FC(F)(F)C(=C(N1CCC(C(F)(F)F)CC1)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]-4-(trifluoromethyl)piperidine?
The InChIKey is PWQZMGUVOBGVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F14N/c13-8(14,12(24,25)26)7(6(10(18,19)20)11(21,22)23)27-3-1-5(2-4-27)9(15,16)17/h5H,1-4H2.
What are the key properties of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine?
1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine has a molecular weight of 433.18 g/mol, XLogP of 5.84, 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]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 148985930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).