(5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol

C16H22FNO3 — CID 110156477

IUPAC(5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO[C@H]1CN(CCOc2ccc(F)cc2)CC[C@@]12CCCO2
InChIInChI=1S/C16H22FNO3/c17-13-2-4-14(5-3-13)20-11-9-18-8-7-16(15(19)12-18)6-1-10-21-16/h2-5,15,19H,1,6-12H2/t15-,16-/m0/s1
InChIKeyHWZUKVXQECKXNN-HOTGVXAUSA-N
MW295.35 g/mol
LogP1.82
Rot. Bonds4

About (5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol

(5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol (PubChem CID 110156477) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is (5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
PubChem CID110156477
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name(5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO[C@H]1CN(CCOc2ccc(F)cc2)CC[C@@]12CCCO2
InChIInChI=1S/C16H22FNO3/c17-13-2-4-14(5-3-13)20-11-9-18-8-7-16(15(19)12-18)6-1-10-21-16/h2-5,15,19H,1,6-12H2/t15-,16-/m0/s1
InChIKeyHWZUKVXQECKXNN-HOTGVXAUSA-N
XLogP1.82
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol (CID 110156477) is (5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol is O[C@H]1CN(CCOc2ccc(F)cc2)CC[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The InChIKey is HWZUKVXQECKXNN-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H22FNO3/c17-13-2-4-14(5-3-13)20-11-9-18-8-7-16(15(19)12-18)6-1-10-21-16/h2-5,15,19H,1,6-12H2/t15-,16-/m0/s1.
What are the key properties of (5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
(5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol has a molecular weight of 295.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-8-[2-(4-fluorophenoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110156477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).