[8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

C10H15F3O3 — CID 163295598

IUPAC[8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESOCC1(C(F)(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C10H15F3O3/c11-10(12,13)8(7-14)1-3-9(4-2-8)15-5-6-16-9/h14H,1-7H2
InChIKeyOJKISXLRUHIBQX-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.84
Rot. Bonds1

About [8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

[8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol (PubChem CID 163295598) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is [8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name[8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
PubChem CID163295598
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name[8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESOCC1(C(F)(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C10H15F3O3/c11-10(12,13)8(7-14)1-3-9(4-2-8)15-5-6-16-9/h14H,1-7H2
InChIKeyOJKISXLRUHIBQX-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 [8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The IUPAC name of [8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol (CID 163295598) is [8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for [8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The canonical SMILES for [8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol is OCC1(C(F)(F)F)CCC2(CC1)OCCO2.
What is the InChIKey of [8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The InChIKey is OJKISXLRUHIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c11-10(12,13)8(7-14)1-3-9(4-2-8)15-5-6-16-9/h14H,1-7H2.
What are the key properties of [8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
[8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol 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 [8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 163295598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).