8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane

C15H17F3O2 — CID 153313686

IUPAC8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane
SMILESCC1(c2ccc(F)c(F)c2F)CCC2(CC1)OCCO2
InChIInChI=1S/C15H17F3O2/c1-14(10-2-3-11(16)13(18)12(10)17)4-6-15(7-5-14)19-8-9-20-15/h2-3H,4-9H2,1H3
InChIKeyHZUXTYLUMWGWKX-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.68
Rot. Bonds1

About 8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane

8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 153313686) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID153313686
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane
SMILESCC1(c2ccc(F)c(F)c2F)CCC2(CC1)OCCO2
InChIInChI=1S/C15H17F3O2/c1-14(10-2-3-11(16)13(18)12(10)17)4-6-15(7-5-14)19-8-9-20-15/h2-3H,4-9H2,1H3
InChIKeyHZUXTYLUMWGWKX-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

8-[4-(4-Methylphenyl)-3-cyclohexen-1-yl]-1,4-dioxaspiro[4.5]decane
CID 91980675
8-(4-(4-Methylphenyl)cyclohexyl)-1,4-dioxaspiro(4.5)decane
CID 101232052
2-Methyl-2-phenethyl-1,3-dioxolane
CID 11830267
US20240150293, Example 64
CID 58909873
8-[4-(2,3-Difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane
CID 11045760
5-Butoxy-3-[(3,4-difluorophenyl)methyl]-2,2-dimethyloxolane
CID 102508598
(4S)-4-[(1S,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 122208006
(4S)-4-[(1R,2R,3S)-2-fluoro-3-phenylcyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 134967207
(4R)-2,2-dimethyl-4-[(2R)-4-phenylbutan-2-yl]-1,3-dioxolane
CID 21676737
8-Phenyl-1,4-dioxaspiro[4,5]decane
CID 10878623
(4,4-Diethoxycyclohexyl)benzene
CID 11043106
8-Phenyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 11264398

Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane (CID 153313686) is 8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane is CC1(c2ccc(F)c(F)c2F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is HZUXTYLUMWGWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-14(10-2-3-11(16)13(18)12(10)17)4-6-15(7-5-14)19-8-9-20-15/h2-3H,4-9H2,1H3.
What are the key properties of 8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane?
8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 286.29 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-(2,3,4-trifluorophenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 153313686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).