8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane

C14H23F3O3 — CID 139451438

IUPAC8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane
SMILESCCOCC1(CCC(F)(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C14H23F3O3/c1-2-18-11-12(5-8-14(15,16)17)3-6-13(7-4-12)19-9-10-20-13/h2-11H2,1H3
InChIKeyBWMFJUVFBLXSES-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.67
Rot. Bonds5

About 8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane

8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 139451438) has the molecular formula C14H23F3O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane
PubChem CID139451438
Molecular FormulaC14H23F3O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane
SMILESCCOCC1(CCC(F)(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C14H23F3O3/c1-2-18-11-12(5-8-14(15,16)17)3-6-13(7-4-12)19-9-10-20-13/h2-11H2,1H3
InChIKeyBWMFJUVFBLXSES-UHFFFAOYSA-N
XLogP3.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane (CID 139451438) is 8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane is CCOCC1(CCC(F)(F)F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is BWMFJUVFBLXSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O3/c1-2-18-11-12(5-8-14(15,16)17)3-6-13(7-4-12)19-9-10-20-13/h2-11H2,1H3.
What are the key properties of 8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane?
8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 296.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethyl)-8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 139451438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).