7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

C15H15F3O4S — CID 122515549

IUPAC7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESC=CCc1ccc(S(=O)(=O)C(F)(F)F)c2c1CCC21OCCO1
InChIInChI=1S/C15H15F3O4S/c1-2-3-10-4-5-12(23(19,20)15(16,17)18)13-11(10)6-7-14(13)21-8-9-22-14/h2,4-5H,1,3,6-9H2
InChIKeyKKUQORKORCHZQL-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.85
Rot. Bonds3

About 7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 122515549) has the molecular formula C15H15F3O4S and a molecular weight of 348.34 g/mol. Its IUPAC name is 7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID122515549
Molecular FormulaC15H15F3O4S
Molecular Weight348.34 g/mol
Exact Mass348.06
IUPAC Name7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESC=CCc1ccc(S(=O)(=O)C(F)(F)F)c2c1CCC21OCCO1
InChIInChI=1S/C15H15F3O4S/c1-2-3-10-4-5-12(23(19,20)15(16,17)18)13-11(10)6-7-14(13)21-8-9-22-14/h2,4-5H,1,3,6-9H2
InChIKeyKKUQORKORCHZQL-UHFFFAOYSA-N
XLogP2.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of 7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 122515549) is 7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for 7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for 7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is C=CCc1ccc(S(=O)(=O)C(F)(F)F)c2c1CCC21OCCO1.
What is the InChIKey of 7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is KKUQORKORCHZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O4S/c1-2-3-10-4-5-12(23(19,20)15(16,17)18)13-11(10)6-7-14(13)21-8-9-22-14/h2,4-5H,1,3,6-9H2.
What are the key properties of 7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane] has a molecular weight of 348.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enyl-4-(trifluoromethylsulfonyl)spiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 122515549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).