6-butoxy-4,4-difluoro-6-methoxyhex-1-ene

C11H20F2O2 — CID 10987842

IUPAC6-butoxy-4,4-difluoro-6-methoxyhex-1-ene
SMILESC=CCC(F)(F)CC(OC)OCCCC
InChIInChI=1S/C11H20F2O2/c1-4-6-8-15-10(14-3)9-11(12,13)7-5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyOPWAKOPYGCJDLX-UHFFFAOYSA-N
MW222.27 g/mol
LogP3.38
Rot. Bonds9

About 6-butoxy-4,4-difluoro-6-methoxyhex-1-ene

6-butoxy-4,4-difluoro-6-methoxyhex-1-ene (PubChem CID 10987842) has the molecular formula C11H20F2O2 and a molecular weight of 222.27 g/mol. Its IUPAC name is 6-butoxy-4,4-difluoro-6-methoxyhex-1-ene.

Molecular Properties

Compound Name6-butoxy-4,4-difluoro-6-methoxyhex-1-ene
PubChem CID10987842
Molecular FormulaC11H20F2O2
Molecular Weight222.27 g/mol
Exact Mass222.14
IUPAC Name6-butoxy-4,4-difluoro-6-methoxyhex-1-ene
SMILESC=CCC(F)(F)CC(OC)OCCCC
InChIInChI=1S/C11H20F2O2/c1-4-6-8-15-10(14-3)9-11(12,13)7-5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyOPWAKOPYGCJDLX-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-butoxy-4,4-difluoro-6-methoxyhex-1-ene?
The IUPAC name of 6-butoxy-4,4-difluoro-6-methoxyhex-1-ene (CID 10987842) is 6-butoxy-4,4-difluoro-6-methoxyhex-1-ene.
What is the SMILES notation for 6-butoxy-4,4-difluoro-6-methoxyhex-1-ene?
The canonical SMILES for 6-butoxy-4,4-difluoro-6-methoxyhex-1-ene is C=CCC(F)(F)CC(OC)OCCCC.
What is the InChIKey of 6-butoxy-4,4-difluoro-6-methoxyhex-1-ene?
The InChIKey is OPWAKOPYGCJDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-4-6-8-15-10(14-3)9-11(12,13)7-5-2/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of 6-butoxy-4,4-difluoro-6-methoxyhex-1-ene?
6-butoxy-4,4-difluoro-6-methoxyhex-1-ene has a molecular weight of 222.27 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-4,4-difluoro-6-methoxyhex-1-ene is sourced from PubChem (CID 10987842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).