1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine

C11H16F5N — CID 134384147

IUPAC1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine
SMILESC/C=C\C(F)(F)C(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C11H16F5N/c1-2-6-10(13,14)9(12)11(15,16)17-7-4-3-5-8-17/h2,6,9H,3-5,7-8H2,1H3/b6-2-
InChIKeyBZGZDOCURWDUTG-KXFIGUGUSA-N
MW257.25 g/mol
LogP3.61
Rot. Bonds4

About 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine

1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine (PubChem CID 134384147) has the molecular formula C11H16F5N and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine.

Molecular Properties

Compound Name1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine
PubChem CID134384147
Molecular FormulaC11H16F5N
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine
SMILESC/C=C\C(F)(F)C(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C11H16F5N/c1-2-6-10(13,14)9(12)11(15,16)17-7-4-3-5-8-17/h2,6,9H,3-5,7-8H2,1H3/b6-2-
InChIKeyBZGZDOCURWDUTG-KXFIGUGUSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane
CID 134384160
1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine
CID 162607539
1-[ethoxy(difluoro)methyl]piperidine
CID 18721519
1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
CID 140998804
CID 178155883
CID 178155883
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1-(1,2,2-trifluoro-3,3-dimethylbutyl)piperidine
CID 134535648
1-(3,3,3-trifluoroprop-1-enyl)piperidine
CID 73003830
1,1-di(piperidin-1-yl)prop-2-enylsilane
CID 173096266
1-[(E)-prop-1-enyl]piperidine
CID 5463479

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine?
The IUPAC name of 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine (CID 134384147) is 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine.
What is the SMILES notation for 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine?
The canonical SMILES for 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine is C/C=C\C(F)(F)C(F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine?
The InChIKey is BZGZDOCURWDUTG-KXFIGUGUSA-N. The full InChI is InChI=1S/C11H16F5N/c1-2-6-10(13,14)9(12)11(15,16)17-7-4-3-5-8-17/h2,6,9H,3-5,7-8H2,1H3/b6-2-.
What are the key properties of 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine?
1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine has a molecular weight of 257.25 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine is sourced from PubChem (CID 134384147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).