8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane

C8H13FO2 — CID 166085946

IUPAC8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane
SMILESFCC1CCC2(C1)OCCO2
InChIInChI=1S/C8H13FO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-6H2
InChIKeyCTONKHROSHBFNU-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.50
Rot. Bonds1

About 8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane

8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane (PubChem CID 166085946) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane
PubChem CID166085946
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane
SMILESFCC1CCC2(C1)OCCO2
InChIInChI=1S/C8H13FO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-6H2
InChIKeyCTONKHROSHBFNU-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane (CID 166085946) is 8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane is FCC1CCC2(C1)OCCO2.
What is the InChIKey of 8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane?
The InChIKey is CTONKHROSHBFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-6H2.
What are the key properties of 8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane?
8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane has a molecular weight of 160.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethyl)-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 166085946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).