8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde

C15H17FO3 — CID 59030519

IUPAC8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
SMILESO=CC1(c2ccccc2F)CCC2(CC1)OCCO2
InChIInChI=1S/C15H17FO3/c16-13-4-2-1-3-12(13)14(11-17)5-7-15(8-6-14)18-9-10-19-15/h1-4,11H,5-10H2
InChIKeyUDFWNYSUYHTIJS-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.58
Rot. Bonds2

About 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde

8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde (PubChem CID 59030519) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde.

Molecular Properties

Compound Name8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
PubChem CID59030519
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
SMILESO=CC1(c2ccccc2F)CCC2(CC1)OCCO2
InChIInChI=1S/C15H17FO3/c16-13-4-2-1-3-12(13)14(11-17)5-7-15(8-6-14)18-9-10-19-15/h1-4,11H,5-10H2
InChIKeyUDFWNYSUYHTIJS-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
The IUPAC name of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde (CID 59030519) is 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde.
What is the SMILES notation for 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
The canonical SMILES for 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde is O=CC1(c2ccccc2F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
The InChIKey is UDFWNYSUYHTIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c16-13-4-2-1-3-12(13)14(11-17)5-7-15(8-6-14)18-9-10-19-15/h1-4,11H,5-10H2.
What are the key properties of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde has a molecular weight of 264.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde is sourced from PubChem (CID 59030519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).