1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine

C11H17F2N — CID 123339362

IUPAC1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine
SMILESC=CC(=CC)CN1CCCC(F)(F)C1
InChIInChI=1S/C11H17F2N/c1-3-10(4-2)8-14-7-5-6-11(12,13)9-14/h3-4H,1,5-9H2,2H3
InChIKeyAYQDBFIPHBSLIS-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.85
Rot. Bonds3

About 1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine

1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine (PubChem CID 123339362) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine
PubChem CID123339362
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine
SMILESC=CC(=CC)CN1CCCC(F)(F)C1
InChIInChI=1S/C11H17F2N/c1-3-10(4-2)8-14-7-5-6-11(12,13)9-14/h3-4H,1,5-9H2,2H3
InChIKeyAYQDBFIPHBSLIS-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine?
The IUPAC name of 1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine (CID 123339362) is 1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine.
What is the SMILES notation for 1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine?
The canonical SMILES for 1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine is C=CC(=CC)CN1CCCC(F)(F)C1.
What is the InChIKey of 1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine?
The InChIKey is AYQDBFIPHBSLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-3-10(4-2)8-14-7-5-6-11(12,13)9-14/h3-4H,1,5-9H2,2H3.
What are the key properties of 1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine?
1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine has a molecular weight of 201.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylbut-2-enyl)-3,3-difluoropiperidine is sourced from PubChem (CID 123339362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).