3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine

C10H15F2NO — CID 138576695

IUPAC3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine
SMILESC=C/C=C(\C)OC1CCNCC1(F)F
InChIInChI=1S/C10H15F2NO/c1-3-4-8(2)14-9-5-6-13-7-10(9,11)12/h3-4,9,13H,1,5-7H2,2H3/b8-4+
InChIKeyGXKXNXDXRDTDTM-XBXARRHUSA-N
MW203.23 g/mol
LogP2.09
Rot. Bonds3

About 3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine

3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine (PubChem CID 138576695) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine
PubChem CID138576695
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine
SMILESC=C/C=C(\C)OC1CCNCC1(F)F
InChIInChI=1S/C10H15F2NO/c1-3-4-8(2)14-9-5-6-13-7-10(9,11)12/h3-4,9,13H,1,5-7H2,2H3/b8-4+
InChIKeyGXKXNXDXRDTDTM-XBXARRHUSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine?
The IUPAC name of 3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine (CID 138576695) is 3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine.
What is the SMILES notation for 3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine?
The canonical SMILES for 3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine is C=C/C=C(\C)OC1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine?
The InChIKey is GXKXNXDXRDTDTM-XBXARRHUSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-3-4-8(2)14-9-5-6-13-7-10(9,11)12/h3-4,9,13H,1,5-7H2,2H3/b8-4+.
What are the key properties of 3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine?
3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine has a molecular weight of 203.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[(2E)-penta-2,4-dien-2-yl]oxypiperidine is sourced from PubChem (CID 138576695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).