6-(4-fluorophenyl)-5-azaspiro[2.5]octane

C13H16FN — CID 164750776

IUPAC6-(4-fluorophenyl)-5-azaspiro[2.5]octane
SMILESFc1ccc(C2CCC3(CC3)CN2)cc1
InChIInChI=1S/C13H16FN/c14-11-3-1-10(2-4-11)12-5-6-13(7-8-13)9-15-12/h1-4,12,15H,5-9H2
InChIKeyGQRUVKXNKCNFTL-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.03
Rot. Bonds1

About 6-(4-fluorophenyl)-5-azaspiro[2.5]octane

6-(4-fluorophenyl)-5-azaspiro[2.5]octane (PubChem CID 164750776) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-azaspiro[2.5]octane
PubChem CID164750776
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name6-(4-fluorophenyl)-5-azaspiro[2.5]octane
SMILESFc1ccc(C2CCC3(CC3)CN2)cc1
InChIInChI=1S/C13H16FN/c14-11-3-1-10(2-4-11)12-5-6-13(7-8-13)9-15-12/h1-4,12,15H,5-9H2
InChIKeyGQRUVKXNKCNFTL-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-azaspiro[2.5]octane?
The IUPAC name of 6-(4-fluorophenyl)-5-azaspiro[2.5]octane (CID 164750776) is 6-(4-fluorophenyl)-5-azaspiro[2.5]octane.
What is the SMILES notation for 6-(4-fluorophenyl)-5-azaspiro[2.5]octane?
The canonical SMILES for 6-(4-fluorophenyl)-5-azaspiro[2.5]octane is Fc1ccc(C2CCC3(CC3)CN2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-azaspiro[2.5]octane?
The InChIKey is GQRUVKXNKCNFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-11-3-1-10(2-4-11)12-5-6-13(7-8-13)9-15-12/h1-4,12,15H,5-9H2.
What are the key properties of 6-(4-fluorophenyl)-5-azaspiro[2.5]octane?
6-(4-fluorophenyl)-5-azaspiro[2.5]octane has a molecular weight of 205.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-azaspiro[2.5]octane is sourced from PubChem (CID 164750776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).