8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane

C7H12FNO2 — CID 140963436

IUPAC8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFN1CCC2(CC1)OCCO2
InChIInChI=1S/C7H12FNO2/c8-9-3-1-7(2-4-9)10-5-6-11-7/h1-6H2
InChIKeyHBWRSIHXLUPROK-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.71
Rot. Bonds

About 8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane

8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 140963436) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID140963436
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFN1CCC2(CC1)OCCO2
InChIInChI=1S/C7H12FNO2/c8-9-3-1-7(2-4-9)10-5-6-11-7/h1-6H2
InChIKeyHBWRSIHXLUPROK-UHFFFAOYSA-N
XLogP0.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane (CID 140963436) is 8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane is FN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HBWRSIHXLUPROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-9-3-1-7(2-4-9)10-5-6-11-7/h1-6H2.
What are the key properties of 8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane?
8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 161.18 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 140963436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).