7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane

C13H21FO2 — CID 174163241

IUPAC7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
SMILESC=C(C)C1(F)CCC2(CC1CC)OCCO2
InChIInChI=1S/C13H21FO2/c1-4-11-9-12(15-7-8-16-12)5-6-13(11,14)10(2)3/h11H,2,4-9H2,1,3H3
InChIKeyZYHULADFJDRQLP-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.22
Rot. Bonds2

About 7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane

7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane (PubChem CID 174163241) has the molecular formula C13H21FO2 and a molecular weight of 228.31 g/mol. Its IUPAC name is 7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
PubChem CID174163241
Molecular FormulaC13H21FO2
Molecular Weight228.31 g/mol
Exact Mass228.15
IUPAC Name7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
SMILESC=C(C)C1(F)CCC2(CC1CC)OCCO2
InChIInChI=1S/C13H21FO2/c1-4-11-9-12(15-7-8-16-12)5-6-13(11,14)10(2)3/h11H,2,4-9H2,1,3H3
InChIKeyZYHULADFJDRQLP-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane (CID 174163241) is 7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane is C=C(C)C1(F)CCC2(CC1CC)OCCO2.
What is the InChIKey of 7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane?
The InChIKey is ZYHULADFJDRQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO2/c1-4-11-9-12(15-7-8-16-12)5-6-13(11,14)10(2)3/h11H,2,4-9H2,1,3H3.
What are the key properties of 7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane?
7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane has a molecular weight of 228.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 174163241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).