7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]

C12H15F3O4 — CID 88603209

IUPAC7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
SMILESFC(F)(F)COC12CCC3OC3C1CC21OCCO1
InChIInChI=1S/C12H15F3O4/c13-12(14,15)6-18-10-2-1-8-9(19-8)7(10)5-11(10)16-3-4-17-11/h7-9H,1-6H2
InChIKeyYXHVQDYMZVRCIR-UHFFFAOYSA-N
MW280.24 g/mol
LogP1.63
Rot. Bonds2

About 7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]

7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] (PubChem CID 88603209) has the molecular formula C12H15F3O4 and a molecular weight of 280.24 g/mol. Its IUPAC name is 7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane].

Molecular Properties

Compound Name7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
PubChem CID88603209
Molecular FormulaC12H15F3O4
Molecular Weight280.24 g/mol
Exact Mass280.09
IUPAC Name7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
SMILESFC(F)(F)COC12CCC3OC3C1CC21OCCO1
InChIInChI=1S/C12H15F3O4/c13-12(14,15)6-18-10-2-1-8-9(19-8)7(10)5-11(10)16-3-4-17-11/h7-9H,1-6H2
InChIKeyYXHVQDYMZVRCIR-UHFFFAOYSA-N
XLogP1.63
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The IUPAC name of 7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] (CID 88603209) is 7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane].
What is the SMILES notation for 7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The canonical SMILES for 7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] is FC(F)(F)COC12CCC3OC3C1CC21OCCO1.
What is the InChIKey of 7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The InChIKey is YXHVQDYMZVRCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O4/c13-12(14,15)6-18-10-2-1-8-9(19-8)7(10)5-11(10)16-3-4-17-11/h7-9H,1-6H2.
What are the key properties of 7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] has a molecular weight of 280.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] is sourced from PubChem (CID 88603209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).