1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one

C14H19F3O3 — CID 158179431

IUPAC1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
SMILESC=CCC1(CC(=O)C(F)(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C14H19F3O3/c1-2-3-12(10-11(18)14(15,16)17)4-6-13(7-5-12)19-8-9-20-13/h2H,1,3-10H2
InChIKeyJWNTXKKONQPUGB-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.39
Rot. Bonds4

About 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one

1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one (PubChem CID 158179431) has the molecular formula C14H19F3O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
PubChem CID158179431
Molecular FormulaC14H19F3O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
SMILESC=CCC1(CC(=O)C(F)(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C14H19F3O3/c1-2-3-12(10-11(18)14(15,16)17)4-6-13(7-5-12)19-8-9-20-13/h2H,1,3-10H2
InChIKeyJWNTXKKONQPUGB-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one (CID 158179431) is 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one is C=CCC1(CC(=O)C(F)(F)F)CCC2(CC1)OCCO2.
What is the InChIKey of 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
The InChIKey is JWNTXKKONQPUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O3/c1-2-3-12(10-11(18)14(15,16)17)4-6-13(7-5-12)19-8-9-20-13/h2H,1,3-10H2.
What are the key properties of 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one has a molecular weight of 292.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one is sourced from PubChem (CID 158179431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).