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

8-Hydroxy-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane - CAS 1248081-37-9

Catalog:	BB005996
Product Name:	8-Hydroxy-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane
CAS:	1248081-37-9
Synonyms:	8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-ol; 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-ol
Description:	8-Hydroxy-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane (CAS# 1248081-37-9) is a useful research chemical.
Molecular Weight:	226.19
Molecular Formula:	C9H13F3O3
Canonical SMILES:	C1CC2(CCC1(C(F)(F)F)O)OCCO2
InChI:	InChI=1S/C9H13F3O3/c10-9(11,12)7(13)1-3-8(4-2-7)14-5-6-15-8/h13H,1-6H2
InChI Key:	SQSSOKYNTBRSCM-UHFFFAOYSA-N
LogP:	1.59690

Publication Number	Title	Priority Date
WO-2020168143-A1	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
US-2021261535-A1	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
AU-2016373530-A1	Compounds useful as kinase inhibitors	20151216
CA-3008488-A1	Compounds useful as kinase inhibitors	20151216
EA-035132-B1	COMPOUNDS THAT CAN BE USED AS KINASE INHIBITORS	20151216

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Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.08167876
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.08167876
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2