8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one

C15H15F3O3 — CID 135086929

IUPAC8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one
SMILESO=C1CC2(CCC1c1ccc(C(F)(F)F)cc1)OCCO2
InChIInChI=1S/C15H15F3O3/c16-15(17,18)11-3-1-10(2-4-11)12-5-6-14(9-13(12)19)20-7-8-21-14/h1-4,12H,5-9H2
InChIKeyLSGDGKCVWHJGLB-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.29
Rot. Bonds1

About 8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one

8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 135086929) has the molecular formula C15H15F3O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID135086929
Molecular FormulaC15H15F3O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Name8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one
SMILESO=C1CC2(CCC1c1ccc(C(F)(F)F)cc1)OCCO2
InChIInChI=1S/C15H15F3O3/c16-15(17,18)11-3-1-10(2-4-11)12-5-6-14(9-13(12)19)20-7-8-21-14/h1-4,12H,5-9H2
InChIKeyLSGDGKCVWHJGLB-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Phenyl-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
CID 12230275
7-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 66859400
2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde
CID 56954480
7-Phenyl-1,4-dioxaspiro[4.5]decan-8-one
CID 58075535
4-(1,4-Dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde
CID 11715903
1-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-one
CID 57269584
3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyran-4(3H)-one
CID 58075307
8-(2-Fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
CID 59030519
8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
CID 59030557
7-[[4-(Trifluoromethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 67129633
3-Bromo-7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 67435223
4-(1,4-Dioxaspiro[4.5]decan-8-yl)-2,6-difluorobenzaldehyde
CID 85870901

Frequently Asked Questions

What is the IUPAC name of 8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one (CID 135086929) is 8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one is O=C1CC2(CCC1c1ccc(C(F)(F)F)cc1)OCCO2.
What is the InChIKey of 8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is LSGDGKCVWHJGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O3/c16-15(17,18)11-3-1-10(2-4-11)12-5-6-14(9-13(12)19)20-7-8-21-14/h1-4,12H,5-9H2.
What are the key properties of 8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one?
8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 300.28 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 135086929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).