7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine

C8H14FNO2 — CID 131193413

IUPAC7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1F)OCCO2
InChIInChI=1S/C8H14FNO2/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6-7H,1-5,10H2
InChIKeyNQQAQTHJGLCCRJ-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.58
Rot. Bonds

About 7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine

7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 131193413) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID131193413
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1F)OCCO2
InChIInChI=1S/C8H14FNO2/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6-7H,1-5,10H2
InChIKeyNQQAQTHJGLCCRJ-UHFFFAOYSA-N
XLogP0.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine (CID 131193413) is 7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine is NC1CCC2(CC1F)OCCO2.
What is the InChIKey of 7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is NQQAQTHJGLCCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6-7H,1-5,10H2.
What are the key properties of 7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine?
7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 175.20 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 131193413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).