(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C18H24FNO3 — CID 97418059

IUPAC(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3C)CC2)CO1
InChIInChI=1S/C18H24FNO3/c1-13-9-14(19)3-4-16(13)17(21)20-7-5-18(6-8-20)10-15(11-22-2)23-12-18/h3-4,9,15H,5-8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyZGPXGAKMKPXQAP-OAHLLOKOSA-N
MW321.39 g/mol
LogP2.79
Rot. Bonds3

About (4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97418059) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97418059
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3C)CC2)CO1
InChIInChI=1S/C18H24FNO3/c1-13-9-14(19)3-4-16(13)17(21)20-7-5-18(6-8-20)10-15(11-22-2)23-12-18/h3-4,9,15H,5-8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyZGPXGAKMKPXQAP-OAHLLOKOSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97418059) is (4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is COC[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3C)CC2)CO1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is ZGPXGAKMKPXQAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-13-9-14(19)3-4-16(13)17(21)20-7-5-18(6-8-20)10-15(11-22-2)23-12-18/h3-4,9,15H,5-8,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 321.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97418059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).