8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane

C15H21FO2 — CID 143476806

IUPAC8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane
SMILESFC1C=CC(CC2CCC3(CC2)OCCO3)=CC1
InChIInChI=1S/C15H21FO2/c16-14-3-1-12(2-4-14)11-13-5-7-15(8-6-13)17-9-10-18-15/h1-3,13-14H,4-11H2
InChIKeyIUFLKAIYQZJYMD-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.53
Rot. Bonds2

About 8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane

8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 143476806) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane
PubChem CID143476806
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane
SMILESFC1C=CC(CC2CCC3(CC2)OCCO3)=CC1
InChIInChI=1S/C15H21FO2/c16-14-3-1-12(2-4-14)11-13-5-7-15(8-6-13)17-9-10-18-15/h1-3,13-14H,4-11H2
InChIKeyIUFLKAIYQZJYMD-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane (CID 143476806) is 8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane is FC1C=CC(CC2CCC3(CC2)OCCO3)=CC1.
What is the InChIKey of 8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is IUFLKAIYQZJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c16-14-3-1-12(2-4-14)11-13-5-7-15(8-6-13)17-9-10-18-15/h1-3,13-14H,4-11H2.
What are the key properties of 8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane?
8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 252.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 143476806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).