9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane

C7H12FNO2 — CID 19883280

IUPAC9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESFCC1CNCC12OCCO2
InChIInChI=1S/C7H12FNO2/c8-3-6-4-9-5-7(6)10-1-2-11-7/h6,9H,1-5H2
InChIKeyZRJFMEPDICYKGY-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.08
Rot. Bonds1

About 9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane

9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 19883280) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID19883280
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESFCC1CNCC12OCCO2
InChIInChI=1S/C7H12FNO2/c8-3-6-4-9-5-7(6)10-1-2-11-7/h6,9H,1-5H2
InChIKeyZRJFMEPDICYKGY-UHFFFAOYSA-N
XLogP-0.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(fluoromethyl)-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 9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane (CID 19883280) is 9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane is FCC1CNCC12OCCO2.
What is the InChIKey of 9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is ZRJFMEPDICYKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-3-6-4-9-5-7(6)10-1-2-11-7/h6,9H,1-5H2.
What are the key properties of 9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 161.18 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(fluoromethyl)-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 19883280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).