3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane

C9H15FO2 — CID 101198691

IUPAC3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane
SMILESFCC1COC2(CCCCC2)O1
InChIInChI=1S/C9H15FO2/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8H,1-7H2
InChIKeyGGBBZSGSATURCH-UHFFFAOYSA-N
MW174.21 g/mol
LogP2.03
Rot. Bonds1

About 3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane

3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 101198691) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID101198691
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane
SMILESFCC1COC2(CCCCC2)O1
InChIInChI=1S/C9H15FO2/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8H,1-7H2
InChIKeyGGBBZSGSATURCH-UHFFFAOYSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane (CID 101198691) is 3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane is FCC1COC2(CCCCC2)O1.
What is the InChIKey of 3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is GGBBZSGSATURCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8H,1-7H2.
What are the key properties of 3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane?
3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 174.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 101198691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).