[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane

C11H17F2OP — CID 143346331

IUPAC[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
SMILESCCC1/C=C(/OC(F)(F)P)C/C=C\CC1
InChIInChI=1S/C11H17F2OP/c1-2-9-6-4-3-5-7-10(8-9)14-11(12,13)15/h3,5,8-9H,2,4,6-7,15H2,1H3/b5-3-,10-8+
InChIKeySUMCJHJNKRWAGJ-WEZLDLNLSA-N
MW234.23 g/mol
LogP4.08
Rot. Bonds3

About [[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane

[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane (PubChem CID 143346331) has the molecular formula C11H17F2OP and a molecular weight of 234.23 g/mol. Its IUPAC name is [[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane.

Molecular Properties

Compound Name[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
PubChem CID143346331
Molecular FormulaC11H17F2OP
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
SMILESCCC1/C=C(/OC(F)(F)P)C/C=C\CC1
InChIInChI=1S/C11H17F2OP/c1-2-9-6-4-3-5-7-10(8-9)14-11(12,13)15/h3,5,8-9H,2,4,6-7,15H2,1H3/b5-3-,10-8+
InChIKeySUMCJHJNKRWAGJ-WEZLDLNLSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dimethyl-2-(trifluoromethoxy)oct-2-ene
CID 123447482
ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
CID 143346330
(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene
CID 144804758
7-Ethyl-6-propan-2-yl-2-(trifluoromethoxy)cycloocta-1,4-diene
CID 162592379

Frequently Asked Questions

What is the IUPAC name of [[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane?
The IUPAC name of [[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane (CID 143346331) is [[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane.
What is the SMILES notation for [[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane?
The canonical SMILES for [[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane is CCC1/C=C(/OC(F)(F)P)C/C=C\CC1.
What is the InChIKey of [[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane?
The InChIKey is SUMCJHJNKRWAGJ-WEZLDLNLSA-N. The full InChI is InChI=1S/C11H17F2OP/c1-2-9-6-4-3-5-7-10(8-9)14-11(12,13)15/h3,5,8-9H,2,4,6-7,15H2,1H3/b5-3-,10-8+.
What are the key properties of [[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane?
[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane has a molecular weight of 234.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane is sourced from PubChem (CID 143346331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).