(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C17H22FNO3 — CID 97418003

IUPAC(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)CO1
InChIInChI=1S/C17H22FNO3/c1-21-11-13-10-17(12-22-13)6-8-19(9-7-17)16(20)14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3/t13-/m0/s1
InChIKeyMPZASHSNYZRMNI-ZDUSSCGKSA-N
MW307.36 g/mol
LogP2.48
Rot. Bonds3

About (2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97418003) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is (2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97418003
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)CO1
InChIInChI=1S/C17H22FNO3/c1-21-11-13-10-17(12-22-13)6-8-19(9-7-17)16(20)14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3/t13-/m0/s1
InChIKeyMPZASHSNYZRMNI-ZDUSSCGKSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418059
[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylindol-3-yl)methanone
CID 131650279
(2,5-dimethylfuran-3-yl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418005
(2-chloro-5-methoxyphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418084
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418076
(3S)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418013
(3R)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418014
2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131651656
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487255
1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
CID 131660419
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418077

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97418003) is (2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is COC[C@@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)CO1.
What is the InChIKey of (2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is MPZASHSNYZRMNI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-21-11-13-10-17(12-22-13)6-8-19(9-7-17)16(20)14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3/t13-/m0/s1.
What are the key properties of (2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97418003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).