8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H20FNO2 — CID 115970213

IUPAC8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(F)cc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20FNO2/c1-12-2-3-14(16)10-13(12)11-17-6-4-15(5-7-17)18-8-9-19-15/h2-3,10H,4-9,11H2,1H3
InChIKeyNYBYPFRJKIAFAJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.47
Rot. Bonds2

About 8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 115970213) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID115970213
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(F)cc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20FNO2/c1-12-2-3-14(16)10-13(12)11-17-6-4-15(5-7-17)18-8-9-19-15/h2-3,10H,4-9,11H2,1H3
InChIKeyNYBYPFRJKIAFAJ-UHFFFAOYSA-N
XLogP2.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 115970213) is 8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1ccc(F)cc1CN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is NYBYPFRJKIAFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-12-2-3-14(16)10-13(12)11-17-6-4-15(5-7-17)18-8-9-19-15/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 265.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 115970213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).