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

C14H19FO2 — CID 70797546

IUPAC8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane
SMILESFC1=CC(C2CCC3(CC2)OCCO3)=CCC1
InChIInChI=1S/C14H19FO2/c15-13-3-1-2-12(10-13)11-4-6-14(7-5-11)16-8-9-17-14/h2,10-11H,1,3-9H2
InChIKeyMJVFHXPAQAGBFH-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.49
Rot. Bonds1

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

8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 70797546) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID70797546
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane
SMILESFC1=CC(C2CCC3(CC2)OCCO3)=CCC1
InChIInChI=1S/C14H19FO2/c15-13-3-1-2-12(10-13)11-4-6-14(7-5-11)16-8-9-17-14/h2,10-11H,1,3-9H2
InChIKeyMJVFHXPAQAGBFH-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane (CID 70797546) is 8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane is FC1=CC(C2CCC3(CC2)OCCO3)=CCC1.
What is the InChIKey of 8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is MJVFHXPAQAGBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c15-13-3-1-2-12(10-13)11-4-6-14(7-5-11)16-8-9-17-14/h2,10-11H,1,3-9H2.
What are the key properties of 8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane?
8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 238.30 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluorocyclohexa-1,5-dien-1-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 70797546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).