3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol

C10H13F5O3 — CID 175955354

IUPAC3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1CCC2(CC1)OCC(C(F)(F)C(F)(F)F)O2
InChIInChI=1S/C10H13F5O3/c11-9(12,10(13,14)15)7-5-17-8(18-7)3-1-6(16)2-4-8/h6-7,16H,1-5H2
InChIKeyJQXVMDWNPSKIIN-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.23
Rot. Bonds1

About 3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol

3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 175955354) has the molecular formula C10H13F5O3 and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID175955354
Molecular FormulaC10H13F5O3
Molecular Weight276.20 g/mol
Exact Mass276.08
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1CCC2(CC1)OCC(C(F)(F)C(F)(F)F)O2
InChIInChI=1S/C10H13F5O3/c11-9(12,10(13,14)15)7-5-17-8(18-7)3-1-6(16)2-4-8/h6-7,16H,1-5H2
InChIKeyJQXVMDWNPSKIIN-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 175955354) is 3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1CCC2(CC1)OCC(C(F)(F)C(F)(F)F)O2.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is JQXVMDWNPSKIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5O3/c11-9(12,10(13,14)15)7-5-17-8(18-7)3-1-6(16)2-4-8/h6-7,16H,1-5H2.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol?
3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 276.20 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 175955354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).