8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane

C15H19FO3 — CID 58923764

IUPAC8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane
SMILESFc1ccc(OCC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H19FO3/c16-13-1-3-14(4-2-13)17-11-12-5-7-15(8-6-12)18-9-10-19-15/h1-4,12H,5-11H2
InChIKeySQDJJTXAQBTNTE-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.14
Rot. Bonds3

About 8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane

8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 58923764) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane
PubChem CID58923764
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane
SMILESFc1ccc(OCC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H19FO3/c16-13-1-3-14(4-2-13)17-11-12-5-7-15(8-6-12)18-9-10-19-15/h1-4,12H,5-11H2
InChIKeySQDJJTXAQBTNTE-UHFFFAOYSA-N
XLogP3.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane (CID 58923764) is 8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane is Fc1ccc(OCC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is SQDJJTXAQBTNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c16-13-1-3-14(4-2-13)17-11-12-5-7-15(8-6-12)18-9-10-19-15/h1-4,12H,5-11H2.
What are the key properties of 8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane?
8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 266.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58923764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).