6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane

C10H18FN — CID 166571111

IUPAC6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane
SMILESCC(C)CN1CC2(CC(F)C2)C1
InChIInChI=1S/C10H18FN/c1-8(2)5-12-6-10(7-12)3-9(11)4-10/h8-9H,3-7H2,1-2H3
InChIKeyRRTFPWMWWKQBDD-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.08
Rot. Bonds2

About 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane

6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane (PubChem CID 166571111) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane
PubChem CID166571111
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane
SMILESCC(C)CN1CC2(CC(F)C2)C1
InChIInChI=1S/C10H18FN/c1-8(2)5-12-6-10(7-12)3-9(11)4-10/h8-9H,3-7H2,1-2H3
InChIKeyRRTFPWMWWKQBDD-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane 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 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane?
The IUPAC name of 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane (CID 166571111) is 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane is CC(C)CN1CC2(CC(F)C2)C1.
What is the InChIKey of 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane?
The InChIKey is RRTFPWMWWKQBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)5-12-6-10(7-12)3-9(11)4-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane?
6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane has a molecular weight of 171.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-methylpropyl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 166571111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).