4,4-difluoro-1-prop-2-enylpiperidine

C8H13F2N — CID 117007738

IUPAC4,4-difluoro-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2N/c1-2-5-11-6-3-8(9,10)4-7-11/h2H,1,3-7H2
InChIKeyBOXFSHZMCQIPKJ-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.90
Rot. Bonds2

About 4,4-difluoro-1-prop-2-enylpiperidine

4,4-difluoro-1-prop-2-enylpiperidine (PubChem CID 117007738) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 4,4-difluoro-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-1-prop-2-enylpiperidine
PubChem CID117007738
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name4,4-difluoro-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2N/c1-2-5-11-6-3-8(9,10)4-7-11/h2H,1,3-7H2
InChIKeyBOXFSHZMCQIPKJ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-prop-2-enylpiperidine?
The IUPAC name of 4,4-difluoro-1-prop-2-enylpiperidine (CID 117007738) is 4,4-difluoro-1-prop-2-enylpiperidine.
What is the SMILES notation for 4,4-difluoro-1-prop-2-enylpiperidine?
The canonical SMILES for 4,4-difluoro-1-prop-2-enylpiperidine is C=CCN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-prop-2-enylpiperidine?
The InChIKey is BOXFSHZMCQIPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-2-5-11-6-3-8(9,10)4-7-11/h2H,1,3-7H2.
What are the key properties of 4,4-difluoro-1-prop-2-enylpiperidine?
4,4-difluoro-1-prop-2-enylpiperidine has a molecular weight of 161.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-prop-2-enylpiperidine is sourced from PubChem (CID 117007738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).