8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine

C8H15FN2O — CID 142484627

IUPAC8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESNC1COCC12CCN(F)CC2
InChIInChI=1S/C8H15FN2O/c9-11-3-1-8(2-4-11)6-12-5-7(8)10/h7H,1-6,10H2
InChIKeySBSABEHHCRIRII-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.31
Rot. Bonds

About 8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine

8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 142484627) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID142484627
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESNC1COCC12CCN(F)CC2
InChIInChI=1S/C8H15FN2O/c9-11-3-1-8(2-4-11)6-12-5-7(8)10/h7H,1-6,10H2
InChIKeySBSABEHHCRIRII-UHFFFAOYSA-N
XLogP0.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
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-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 142484627) is 8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine is NC1COCC12CCN(F)CC2.
What is the InChIKey of 8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is SBSABEHHCRIRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c9-11-3-1-8(2-4-11)6-12-5-7(8)10/h7H,1-6,10H2.
What are the key properties of 8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine?
8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 174.22 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 142484627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).