(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane

C16H21F2NO2 — CID 110156319

IUPAC(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1CN(Cc2cc(F)ccc2F)CC[C@@]12CCCO2
InChIInChI=1S/C16H21F2NO2/c1-20-15-11-19(7-6-16(15)5-2-8-21-16)10-12-9-13(17)3-4-14(12)18/h3-4,9,15H,2,5-8,10-11H2,1H3/t15-,16-/m0/s1
InChIKeyZHCDBPMRSIIDPB-HOTGVXAUSA-N
MW297.34 g/mol
LogP2.73
Rot. Bonds3

About (5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane

(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 110156319) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is (5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID110156319
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1CN(Cc2cc(F)ccc2F)CC[C@@]12CCCO2
InChIInChI=1S/C16H21F2NO2/c1-20-15-11-19(7-6-16(15)5-2-8-21-16)10-12-9-13(17)3-4-14(12)18/h3-4,9,15H,2,5-8,10-11H2,1H3/t15-,16-/m0/s1
InChIKeyZHCDBPMRSIIDPB-HOTGVXAUSA-N
XLogP2.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane (CID 110156319) is (5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane is CO[C@H]1CN(Cc2cc(F)ccc2F)CC[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ZHCDBPMRSIIDPB-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-20-15-11-19(7-6-16(15)5-2-8-21-16)10-12-9-13(17)3-4-14(12)18/h3-4,9,15H,2,5-8,10-11H2,1H3/t15-,16-/m0/s1.
What are the key properties of (5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane?
(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 297.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 110156319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).