7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane

C15H20FNO — CID 65210932

IUPAC7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCc1cc(C2CNCC3(CCCC3)O2)ccc1F
InChIInChI=1S/C15H20FNO/c1-11-8-12(4-5-13(11)16)14-9-17-10-15(18-14)6-2-3-7-15/h4-5,8,14,17H,2-3,6-7,9-10H2,1H3
InChIKeyGNFHUIWDZJXARO-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.11
Rot. Bonds1

About 7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane

7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 65210932) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID65210932
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCc1cc(C2CNCC3(CCCC3)O2)ccc1F
InChIInChI=1S/C15H20FNO/c1-11-8-12(4-5-13(11)16)14-9-17-10-15(18-14)6-2-3-7-15/h4-5,8,14,17H,2-3,6-7,9-10H2,1H3
InChIKeyGNFHUIWDZJXARO-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane (CID 65210932) is 7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane is Cc1cc(C2CNCC3(CCCC3)O2)ccc1F.
What is the InChIKey of 7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is GNFHUIWDZJXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11-8-12(4-5-13(11)16)14-9-17-10-15(18-14)6-2-3-7-15/h4-5,8,14,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane?
7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 249.33 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 65210932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).