4,4-difluoro-3-prop-1-en-2-ylpiperidine

C8H13F2N — CID 149166894

IUPAC4,4-difluoro-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CNCCC1(F)F
InChIInChI=1S/C8H13F2N/c1-6(2)7-5-11-4-3-8(7,9)10/h7,11H,1,3-5H2,2H3
InChIKeyWYHFMIZLDMDTDM-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.81
Rot. Bonds1

About 4,4-difluoro-3-prop-1-en-2-ylpiperidine

4,4-difluoro-3-prop-1-en-2-ylpiperidine (PubChem CID 149166894) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 4,4-difluoro-3-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-3-prop-1-en-2-ylpiperidine
PubChem CID149166894
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name4,4-difluoro-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CNCCC1(F)F
InChIInChI=1S/C8H13F2N/c1-6(2)7-5-11-4-3-8(7,9)10/h7,11H,1,3-5H2,2H3
InChIKeyWYHFMIZLDMDTDM-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
(3R)-3-fluoro-3-prop-2-enylpiperidine
CID 89369745
2-Fluoro-5-methyl-3-methylidenepiperidine
CID 90958501
3-Methylidene-4-(trifluoromethyl)piperidine
CID 91066008
2-Fluoro-3-methyl-5-methylidenepiperidine
CID 91268810
3-(Fluoromethyl)-5-methylidenepiperidine
CID 91311017
3-(Difluoromethyl)-5-methylidenepiperidine
CID 91512927
3-Methylidene-5-(trifluoromethyl)piperidine
CID 91513243
4-Fluoro-3-methyl-5-methylidenepiperidine
CID 91562476
3-Fluoro-3-prop-2-enylpiperidine
CID 112563023
2-Fluoro-4-methyl-5-methylidenepiperidine
CID 123470052

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-prop-1-en-2-ylpiperidine?
The IUPAC name of 4,4-difluoro-3-prop-1-en-2-ylpiperidine (CID 149166894) is 4,4-difluoro-3-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 4,4-difluoro-3-prop-1-en-2-ylpiperidine?
The canonical SMILES for 4,4-difluoro-3-prop-1-en-2-ylpiperidine is C=C(C)C1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-prop-1-en-2-ylpiperidine?
The InChIKey is WYHFMIZLDMDTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6(2)7-5-11-4-3-8(7,9)10/h7,11H,1,3-5H2,2H3.
What are the key properties of 4,4-difluoro-3-prop-1-en-2-ylpiperidine?
4,4-difluoro-3-prop-1-en-2-ylpiperidine has a molecular weight of 161.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 149166894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).