7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane

C7H12FNO2 — CID 144594036

IUPAC7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC1CC2(CN1F)OCCO2
InChIInChI=1S/C7H12FNO2/c1-6-4-7(5-9(6)8)10-2-3-11-7/h6H,2-5H2,1H3
InChIKeyBANZVNMKEFQRMU-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.71
Rot. Bonds

About 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane

7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 144594036) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID144594036
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC1CC2(CN1F)OCCO2
InChIInChI=1S/C7H12FNO2/c1-6-4-7(5-9(6)8)10-2-3-11-7/h6H,2-5H2,1H3
InChIKeyBANZVNMKEFQRMU-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'}

Analyze 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane (CID 144594036) is 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane is CC1CC2(CN1F)OCCO2.
What is the InChIKey of 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is BANZVNMKEFQRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-6-4-7(5-9(6)8)10-2-3-11-7/h6H,2-5H2,1H3.
What are the key properties of 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane 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 7-fluoro-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 144594036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).