2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane

C17H29FO2 — CID 70505511

IUPAC2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane
SMILESFCCCCC/C=C\C/C=C\CCOC1CCCCO1
InChIInChI=1S/C17H29FO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h1-2,6,8,17H,3-5,7,9-16H2/b2-1-,8-6-
InChIKeyYSBFUQGDABHKCR-NGNAIVRQSA-N
MW284.41 g/mol
LogP4.95
Rot. Bonds11

About 2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane

2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane (PubChem CID 70505511) has the molecular formula C17H29FO2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane.

Molecular Properties

Compound Name2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane
PubChem CID70505511
Molecular FormulaC17H29FO2
Molecular Weight284.41 g/mol
Exact Mass284.22
IUPAC Name2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane
SMILESFCCCCC/C=C\C/C=C\CCOC1CCCCO1
InChIInChI=1S/C17H29FO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h1-2,6,8,17H,3-5,7,9-16H2/b2-1-,8-6-
InChIKeyYSBFUQGDABHKCR-NGNAIVRQSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane?
The IUPAC name of 2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane (CID 70505511) is 2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane.
What is the SMILES notation for 2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane?
The canonical SMILES for 2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane is FCCCCC/C=C\C/C=C\CCOC1CCCCO1.
What is the InChIKey of 2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane?
The InChIKey is YSBFUQGDABHKCR-NGNAIVRQSA-N. The full InChI is InChI=1S/C17H29FO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h1-2,6,8,17H,3-5,7,9-16H2/b2-1-,8-6-.
What are the key properties of 2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane?
2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane has a molecular weight of 284.41 g/mol, XLogP of 4.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,6Z)-12-fluorododeca-3,6-dienoxy]oxane is sourced from PubChem (CID 70505511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).