1-(1,2-difluoroprop-2-enyl)piperidine

C8H13F2N — CID 129207803

IUPAC1-(1,2-difluoroprop-2-enyl)piperidine
SMILESC=C(F)C(F)N1CCCCC1
InChIInChI=1S/C8H13F2N/c1-7(9)8(10)11-5-3-2-4-6-11/h8H,1-6H2
InChIKeyKGPLLEFZQAIOJX-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds2

About 1-(1,2-difluoroprop-2-enyl)piperidine

1-(1,2-difluoroprop-2-enyl)piperidine (PubChem CID 129207803) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-(1,2-difluoroprop-2-enyl)piperidine.

Molecular Properties

Compound Name1-(1,2-difluoroprop-2-enyl)piperidine
PubChem CID129207803
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-(1,2-difluoroprop-2-enyl)piperidine
SMILESC=C(F)C(F)N1CCCCC1
InChIInChI=1S/C8H13F2N/c1-7(9)8(10)11-5-3-2-4-6-11/h8H,1-6H2
InChIKeyKGPLLEFZQAIOJX-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluoroprop-2-enyl)piperidine?
The IUPAC name of 1-(1,2-difluoroprop-2-enyl)piperidine (CID 129207803) is 1-(1,2-difluoroprop-2-enyl)piperidine.
What is the SMILES notation for 1-(1,2-difluoroprop-2-enyl)piperidine?
The canonical SMILES for 1-(1,2-difluoroprop-2-enyl)piperidine is C=C(F)C(F)N1CCCCC1.
What is the InChIKey of 1-(1,2-difluoroprop-2-enyl)piperidine?
The InChIKey is KGPLLEFZQAIOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-7(9)8(10)11-5-3-2-4-6-11/h8H,1-6H2.
What are the key properties of 1-(1,2-difluoroprop-2-enyl)piperidine?
1-(1,2-difluoroprop-2-enyl)piperidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoroprop-2-enyl)piperidine is sourced from PubChem (CID 129207803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).