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

C9H15F2NO — CID 157033147

IUPAC7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)N1CC2(C1)CC(F)(F)CO2
InChIInChI=1S/C9H15F2NO/c1-7(2)12-4-8(5-12)3-9(10,11)6-13-8/h7H,3-6H2,1-2H3
InChIKeyVGAZTYGASPMENQ-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.50
Rot. Bonds1

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

7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 157033147) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
PubChem CID157033147
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)N1CC2(C1)CC(F)(F)CO2
InChIInChI=1S/C9H15F2NO/c1-7(2)12-4-8(5-12)3-9(10,11)6-13-8/h7H,3-6H2,1-2H3
InChIKeyVGAZTYGASPMENQ-UHFFFAOYSA-N
XLogP1.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-difluoro-2-propan-2-yl-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

Related Compounds

lawrencium;7-methanidyl-7-methyl-9-propan-2-yl-2,5-dioxa-9-azaspiro[3.6]decane
CID 153331494
6-fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146
12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
CID 135332795
2-propan-2-yl-8-oxa-2-azadispiro[3.1.36.14]decane
CID 146419325
ethane;2,2,6,6-tetramethyl-4-propan-2-ylmorpholine
CID 178173229
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 178173049
3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 166826440
methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 159337288
3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine
CID 159310583
ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol
CID 168906490
7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane
CID 129290547

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane (CID 157033147) is 7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane is CC(C)N1CC2(C1)CC(F)(F)CO2.
What is the InChIKey of 7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is VGAZTYGASPMENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(2)12-4-8(5-12)3-9(10,11)6-13-8/h7H,3-6H2,1-2H3.
What are the key properties of 7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 191.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 157033147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).