7-fluoro-2-methoxy-7-azaspiro[3.5]nonane

C9H16FNO — CID 174312608

IUPAC7-fluoro-2-methoxy-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCN(F)CC2)C1
InChIInChI=1S/C9H16FNO/c1-12-8-6-9(7-8)2-4-11(10)5-3-9/h8H,2-7H2,1H3
InChIKeyBNYWODBYDQOOCF-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.76
Rot. Bonds1

About 7-fluoro-2-methoxy-7-azaspiro[3.5]nonane

7-fluoro-2-methoxy-7-azaspiro[3.5]nonane (PubChem CID 174312608) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-fluoro-2-methoxy-7-azaspiro[3.5]nonane
PubChem CID174312608
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name7-fluoro-2-methoxy-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCN(F)CC2)C1
InChIInChI=1S/C9H16FNO/c1-12-8-6-9(7-8)2-4-11(10)5-3-9/h8H,2-7H2,1H3
InChIKeyBNYWODBYDQOOCF-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.76
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-methoxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-fluoro-2-methoxy-7-azaspiro[3.5]nonane (CID 174312608) is 7-fluoro-2-methoxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-fluoro-2-methoxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-fluoro-2-methoxy-7-azaspiro[3.5]nonane is COC1CC2(CCN(F)CC2)C1.
What is the InChIKey of 7-fluoro-2-methoxy-7-azaspiro[3.5]nonane?
The InChIKey is BNYWODBYDQOOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-12-8-6-9(7-8)2-4-11(10)5-3-9/h8H,2-7H2,1H3.
What are the key properties of 7-fluoro-2-methoxy-7-azaspiro[3.5]nonane?
7-fluoro-2-methoxy-7-azaspiro[3.5]nonane has a molecular weight of 173.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methoxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 174312608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).