2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane

C10H17F2NO — CID 176923228

IUPAC2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane
SMILESCCCCN1CC2(C1)CC(F)(F)CO2
InChIInChI=1S/C10H17F2NO/c1-2-3-4-13-6-9(7-13)5-10(11,12)8-14-9/h2-8H2,1H3
InChIKeyQJAIRNYPEDVAMK-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.90
Rot. Bonds3

About 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane

2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane (PubChem CID 176923228) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane
PubChem CID176923228
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane
SMILESCCCCN1CC2(C1)CC(F)(F)CO2
InChIInChI=1S/C10H17F2NO/c1-2-3-4-13-6-9(7-13)5-10(11,12)8-14-9/h2-8H2,1H3
InChIKeyQJAIRNYPEDVAMK-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane 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 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane (CID 176923228) is 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane is CCCCN1CC2(C1)CC(F)(F)CO2.
What is the InChIKey of 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is QJAIRNYPEDVAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-2-3-4-13-6-9(7-13)5-10(11,12)8-14-9/h2-8H2,1H3.
What are the key properties of 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane?
2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 205.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 176923228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).