6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane

C12H22FNO — CID 139506326

IUPAC6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane
SMILESCC(C)OCCCN1CC2(CC(F)C2)C1
InChIInChI=1S/C12H22FNO/c1-10(2)15-5-3-4-14-8-12(9-14)6-11(13)7-12/h10-11H,3-9H2,1-2H3
InChIKeyVERLHBOVMNNEMU-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.24
Rot. Bonds5

About 6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane

6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane (PubChem CID 139506326) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane
PubChem CID139506326
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane
SMILESCC(C)OCCCN1CC2(CC(F)C2)C1
InChIInChI=1S/C12H22FNO/c1-10(2)15-5-3-4-14-8-12(9-14)6-11(13)7-12/h10-11H,3-9H2,1-2H3
InChIKeyVERLHBOVMNNEMU-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane?
The IUPAC name of 6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane (CID 139506326) is 6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane is CC(C)OCCCN1CC2(CC(F)C2)C1.
What is the InChIKey of 6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane?
The InChIKey is VERLHBOVMNNEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-10(2)15-5-3-4-14-8-12(9-14)6-11(13)7-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane?
6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane has a molecular weight of 215.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 139506326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).