8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane

C10H15F3O2 — CID 21252704

IUPAC8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane
SMILESFC(F)C(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H15F3O2/c11-8(9(12)13)7-1-3-10(4-2-7)14-5-6-15-10/h7-9H,1-6H2
InChIKeyGTBGVYNBPIEVPP-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.52
Rot. Bonds2

About 8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane

8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 21252704) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID21252704
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane
SMILESFC(F)C(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H15F3O2/c11-8(9(12)13)7-1-3-10(4-2-7)14-5-6-15-10/h7-9H,1-6H2
InChIKeyGTBGVYNBPIEVPP-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane (CID 21252704) is 8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane is FC(F)C(F)C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is GTBGVYNBPIEVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c11-8(9(12)13)7-1-3-10(4-2-7)14-5-6-15-10/h7-9H,1-6H2.
What are the key properties of 8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane?
8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 224.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,2-trifluoroethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 21252704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).