7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane

C12H22FN — CID 154931410

IUPAC7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
SMILESCC(C)(C)N1CCC2(CC1)CC(F)C2
InChIInChI=1S/C12H22FN/c1-11(2,3)14-6-4-12(5-7-14)8-10(13)9-12/h10H,4-9H2,1-3H3
InChIKeyXLRLGUIBMUYBSK-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.00
Rot. Bonds

About 7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane

7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane (PubChem CID 154931410) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
PubChem CID154931410
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
SMILESCC(C)(C)N1CCC2(CC1)CC(F)C2
InChIInChI=1S/C12H22FN/c1-11(2,3)14-6-4-12(5-7-14)8-10(13)9-12/h10H,4-9H2,1-3H3
InChIKeyXLRLGUIBMUYBSK-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-tert-butyl-2-fluoro-7-azaspiro[3.5]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-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane?
The IUPAC name of 7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane (CID 154931410) is 7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane is CC(C)(C)N1CCC2(CC1)CC(F)C2.
What is the InChIKey of 7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane?
The InChIKey is XLRLGUIBMUYBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-11(2,3)14-6-4-12(5-7-14)8-10(13)9-12/h10H,4-9H2,1-3H3.
What are the key properties of 7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane?
7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane has a molecular weight of 199.31 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane is sourced from PubChem (CID 154931410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).