1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine

C11H16F5N — CID 160565382

IUPAC1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine
SMILESCC(C)=C(N1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5N/c1-8(2)9(10(12,13)11(14,15)16)17-6-4-3-5-7-17/h3-7H2,1-2H3
InChIKeyVPZPQTMYUSQKSY-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.96
Rot. Bonds2

About 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine

1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine (PubChem CID 160565382) has the molecular formula C11H16F5N and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine.

Molecular Properties

Compound Name1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine
PubChem CID160565382
Molecular FormulaC11H16F5N
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine
SMILESCC(C)=C(N1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5N/c1-8(2)9(10(12,13)11(14,15)16)17-6-4-3-5-7-17/h3-7H2,1-2H3
InChIKeyVPZPQTMYUSQKSY-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.96
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
4-Fluoro-1-methyl-2-propan-2-ylidenepiperidine
CID 89209697
5,5-Difluoro-1-methyl-2-propan-2-ylidenepiperidine
CID 89209701
4,4-Difluoro-1-methyl-2-propan-2-ylidenepiperidine
CID 89210066
1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine
CID 140996572
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-[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
4,4-Difluoro-1,5,6-trimethyl-2,3-dihydropyridine
CID 156082125

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine?
The IUPAC name of 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine (CID 160565382) is 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine.
What is the SMILES notation for 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine?
The canonical SMILES for 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine is CC(C)=C(N1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine?
The InChIKey is VPZPQTMYUSQKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5N/c1-8(2)9(10(12,13)11(14,15)16)17-6-4-3-5-7-17/h3-7H2,1-2H3.
What are the key properties of 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine?
1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine has a molecular weight of 257.25 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)piperidine is sourced from PubChem (CID 160565382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).