4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine

C9H13F2NO — CID 123442834

IUPAC4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine
SMILESC=C(F)C(=CF)OC1CCNCC1
InChIInChI=1S/C9H13F2NO/c1-7(11)9(6-10)13-8-2-4-12-5-3-8/h6,8,12H,1-5H2
InChIKeyIKLACTUOLKEDRC-UHFFFAOYSA-N
MW189.20 g/mol
LogP2.05
Rot. Bonds3

About 4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine

4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine (PubChem CID 123442834) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine.

Molecular Properties

Compound Name4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine
PubChem CID123442834
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine
SMILESC=C(F)C(=CF)OC1CCNCC1
InChIInChI=1S/C9H13F2NO/c1-7(11)9(6-10)13-8-2-4-12-5-3-8/h6,8,12H,1-5H2
InChIKeyIKLACTUOLKEDRC-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 52.05
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 4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine?
The IUPAC name of 4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine (CID 123442834) is 4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine.
What is the SMILES notation for 4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine?
The canonical SMILES for 4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine is C=C(F)C(=CF)OC1CCNCC1.
What is the InChIKey of 4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine?
The InChIKey is IKLACTUOLKEDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-7(11)9(6-10)13-8-2-4-12-5-3-8/h6,8,12H,1-5H2.
What are the key properties of 4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine?
4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine has a molecular weight of 189.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-difluorobuta-1,3-dien-2-yloxy)piperidine is sourced from PubChem (CID 123442834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).