1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine

C11H9F12N — CID 147089015

IUPAC1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine
SMILESF/C(=C(/N1CCC(C(F)(F)F)CC1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F12N/c12-6(10(18,19)20)7(8(13,14)11(21,22)23)24-3-1-5(2-4-24)9(15,16)17/h5H,1-4H2/b7-6+
InChIKeyBIKRBJWSFUCIFQ-VOTSOKGWSA-N
MW383.18 g/mol
LogP5.20
Rot. Bonds2

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

1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine (PubChem CID 147089015) has the molecular formula C11H9F12N and a molecular weight of 383.18 g/mol. Its IUPAC name is 1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine
PubChem CID147089015
Molecular FormulaC11H9F12N
Molecular Weight383.18 g/mol
Exact Mass383.05
IUPAC Name1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine
SMILESF/C(=C(/N1CCC(C(F)(F)F)CC1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F12N/c12-6(10(18,19)20)7(8(13,14)11(21,22)23)24-3-1-5(2-4-24)9(15,16)17/h5H,1-4H2/b7-6+
InChIKeyBIKRBJWSFUCIFQ-VOTSOKGWSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.18
LogP ≤ 55.20
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-(1,1,1,2,3,4,4-Heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
CID 129271430
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]piperidine
CID 148458865
1-[1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]-4-(trifluoromethyl)piperidine
CID 148985930
1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-3,5-bis(trifluoromethyl)piperidine
CID 152840863
1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine
CID 163829700
1-[1,1,1,4,4,4-Hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]-4-(trifluoromethyl)piperidine
CID 166661099

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine (CID 147089015) is 1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine is 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-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine?
The InChIKey is BIKRBJWSFUCIFQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H9F12N/c12-6(10(18,19)20)7(8(13,14)11(21,22)23)24-3-1-5(2-4-24)9(15,16)17/h5H,1-4H2/b7-6+.
What are the key properties of 1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine?
1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine has a molecular weight of 383.18 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 147089015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).