1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine

C11H16F5N — CID 134384141

IUPAC1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine
SMILESC=C(C)C(F)(F)C(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C11H16F5N/c1-8(2)10(13,14)9(12)11(15,16)17-6-4-3-5-7-17/h9H,1,3-7H2,2H3
InChIKeyCTVOCIHYDAPRCM-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.61
Rot. Bonds4

About 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine

1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine (PubChem CID 134384141) has the molecular formula C11H16F5N and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine
PubChem CID134384141
Molecular FormulaC11H16F5N
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine
SMILESC=C(C)C(F)(F)C(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C11H16F5N/c1-8(2)10(13,14)9(12)11(15,16)17-6-4-3-5-7-17/h9H,1,3-7H2,2H3
InChIKeyCTVOCIHYDAPRCM-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine?
The IUPAC name of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine (CID 134384141) is 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine is C=C(C)C(F)(F)C(F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine?
The InChIKey is CTVOCIHYDAPRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5N/c1-8(2)10(13,14)9(12)11(15,16)17-6-4-3-5-7-17/h9H,1,3-7H2,2H3.
What are the key properties of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine?
1-(1,1,2,3,3-pentafluoro-4-methylpent-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-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)piperidine is sourced from PubChem (CID 134384141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).