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

C9H13F3O3 — CID 59565503

IUPAC8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)OC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H13F3O3/c10-9(11,12)15-7-1-3-8(4-2-7)13-5-6-14-8/h7H,1-6H2
InChIKeyBWWCBLGQGJPZKQ-UHFFFAOYSA-N
MW226.19 g/mol
LogP2.21
Rot. Bonds1

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

8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane (PubChem CID 59565503) has the molecular formula C9H13F3O3 and a molecular weight of 226.19 g/mol. Its IUPAC name is 8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane
PubChem CID59565503
Molecular FormulaC9H13F3O3
Molecular Weight226.19 g/mol
Exact Mass226.08
IUPAC Name8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)OC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H13F3O3/c10-9(11,12)15-7-1-3-8(4-2-7)13-5-6-14-8/h7H,1-6H2
InChIKeyBWWCBLGQGJPZKQ-UHFFFAOYSA-N
XLogP2.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8,8-Difluoro-1,4-dioxaspiro[4.5]decane
CID 22225014
6-Fluoro-1,4-dioxaspiro[4.5]decane
CID 13215123
2-Cyclohexyloxy-2-(trifluoromethyl)oxirane
CID 134928456
(6S)-6-fluoro-1,4-dioxaspiro[4.5]decane
CID 15939463
8-Fluoro-1,4-dioxaspiro[4.5]decane
CID 56605200
3-(1,1,2,2-Tetrafluoropropoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 88487712
8-(2,2-Difluoroethoxy)-1,4-dioxaspiro[4.5]decane
CID 104455418
3,8-Difluoro-1,4-dioxaspiro[4.5]decane
CID 117626918
(3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane
CID 135374794
1,4-Dioxaspiro[4.5]decan-8-yl trifluoromethanesulfonate
CID 138578102
2,4-Dimethyl-5-propyl-2-(trifluoromethyl)-1,3-dioxolane
CID 157771710
3-(1,1,2,2,2-Pentafluoroethyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 175955354

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane (CID 59565503) is 8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane is FC(F)(F)OC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane?
The InChIKey is BWWCBLGQGJPZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O3/c10-9(11,12)15-7-1-3-8(4-2-7)13-5-6-14-8/h7H,1-6H2.
What are the key properties of 8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane?
8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane has a molecular weight of 226.19 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethoxy)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 59565503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).