7-fluoro-2-oxa-7-azaspiro[4.4]nonane

C7H12FNO — CID 170081751

IUPAC7-fluoro-2-oxa-7-azaspiro[4.4]nonane
SMILESFN1CCC2(CCOC2)C1
InChIInChI=1S/C7H12FNO/c8-9-3-1-7(5-9)2-4-10-6-7/h1-6H2
InChIKeyDOAWABRSFKQBPD-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.98
Rot. Bonds

About 7-fluoro-2-oxa-7-azaspiro[4.4]nonane

7-fluoro-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 170081751) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 7-fluoro-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-fluoro-2-oxa-7-azaspiro[4.4]nonane
PubChem CID170081751
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name7-fluoro-2-oxa-7-azaspiro[4.4]nonane
SMILESFN1CCC2(CCOC2)C1
InChIInChI=1S/C7H12FNO/c8-9-3-1-7(5-9)2-4-10-6-7/h1-6H2
InChIKeyDOAWABRSFKQBPD-UHFFFAOYSA-N
XLogP0.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-fluoro-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-fluoro-2-oxa-7-azaspiro[4.4]nonane (CID 170081751) is 7-fluoro-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-fluoro-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-fluoro-2-oxa-7-azaspiro[4.4]nonane is FN1CCC2(CCOC2)C1.
What is the InChIKey of 7-fluoro-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is DOAWABRSFKQBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-9-3-1-7(5-9)2-4-10-6-7/h1-6H2.
What are the key properties of 7-fluoro-2-oxa-7-azaspiro[4.4]nonane?
7-fluoro-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 145.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 170081751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).