3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol

C14H18FNO2 — CID 110214267

IUPAC3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1(c2ccc(F)cc2)COC2(CCNCC2)C1
InChIInChI=1S/C14H18FNO2/c15-12-3-1-11(2-4-12)14(17)9-13(18-10-14)5-7-16-8-6-13/h1-4,16-17H,5-10H2
InChIKeyGNEZJLRSDWEWDB-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.56
Rot. Bonds1

About 3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol

3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol (PubChem CID 110214267) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol
PubChem CID110214267
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1(c2ccc(F)cc2)COC2(CCNCC2)C1
InChIInChI=1S/C14H18FNO2/c15-12-3-1-11(2-4-12)14(17)9-13(18-10-14)5-7-16-8-6-13/h1-4,16-17H,5-10H2
InChIKeyGNEZJLRSDWEWDB-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of 3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol (CID 110214267) is 3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol is OC1(c2ccc(F)cc2)COC2(CCNCC2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
The InChIKey is GNEZJLRSDWEWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-12-3-1-11(2-4-12)14(17)9-13(18-10-14)5-7-16-8-6-13/h1-4,16-17H,5-10H2.
What are the key properties of 3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol?
3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol has a molecular weight of 251.30 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 110214267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).