1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol

C10H15F3O3 — CID 58562581

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol
SMILESOC(C1CCC2(CC1)OCCO2)C(F)(F)F
InChIInChI=1S/C10H15F3O3/c11-10(12,13)8(14)7-1-3-9(4-2-7)15-5-6-16-9/h7-8,14H,1-6H2
InChIKeyXMFQKGQYSMPVSV-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.84
Rot. Bonds1

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol

1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol (PubChem CID 58562581) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol
PubChem CID58562581
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol
SMILESOC(C1CCC2(CC1)OCCO2)C(F)(F)F
InChIInChI=1S/C10H15F3O3/c11-10(12,13)8(14)7-1-3-9(4-2-7)15-5-6-16-9/h7-8,14H,1-6H2
InChIKeyXMFQKGQYSMPVSV-UHFFFAOYSA-N
XLogP1.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol (CID 58562581) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol is OC(C1CCC2(CC1)OCCO2)C(F)(F)F.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol?
The InChIKey is XMFQKGQYSMPVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c11-10(12,13)8(14)7-1-3-9(4-2-7)15-5-6-16-9/h7-8,14H,1-6H2.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol has a molecular weight of 240.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 58562581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).