[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine

C15H20FNO2 — CID 24730064

IUPAC[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine
SMILESNCC1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C15H20FNO2/c16-13-3-1-12(2-4-13)14(11-17)5-7-15(8-6-14)18-9-10-19-15/h1-4H,5-11,17H2
InChIKeyXKVYRQNEOUBVQG-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.34
Rot. Bonds2

About [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine

[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine (PubChem CID 24730064) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine.

Molecular Properties

Compound Name[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine
PubChem CID24730064
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine
SMILESNCC1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C15H20FNO2/c16-13-3-1-12(2-4-13)14(11-17)5-7-15(8-6-14)18-9-10-19-15/h1-4H,5-11,17H2
InChIKeyXKVYRQNEOUBVQG-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine?
The IUPAC name of [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine (CID 24730064) is [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine.
What is the SMILES notation for [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine?
The canonical SMILES for [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine is NCC1(c2ccc(F)cc2)CCC2(CC1)OCCO2.
What is the InChIKey of [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine?
The InChIKey is XKVYRQNEOUBVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-13-3-1-12(2-4-13)14(11-17)5-7-15(8-6-14)18-9-10-19-15/h1-4H,5-11,17H2.
What are the key properties of [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine?
[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine has a molecular weight of 265.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine is sourced from PubChem (CID 24730064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).