8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane

C10H13FO2 — CID 138982908

IUPAC8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane
SMILESC#CC1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C10H13FO2/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h1H,3-8H2
InChIKeyHMVVVLXXKCQQIL-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.64
Rot. Bonds

About 8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane

8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane (PubChem CID 138982908) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane
PubChem CID138982908
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane
SMILESC#CC1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C10H13FO2/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h1H,3-8H2
InChIKeyHMVVVLXXKCQQIL-UHFFFAOYSA-N
XLogP1.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane (CID 138982908) is 8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane is C#CC1(F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane?
The InChIKey is HMVVVLXXKCQQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h1H,3-8H2.
What are the key properties of 8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane?
8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane has a molecular weight of 184.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 138982908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).