(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C16H20FNO3 — CID 97487255

IUPAC(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCO[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)C1
InChIInChI=1S/C16H20FNO3/c1-20-12-10-16(21-11-12)6-8-18(9-7-16)15(19)13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3/t12-/m1/s1
InChIKeyXARKAKYGFULZQM-GFCCVEGCSA-N
MW293.34 g/mol
LogP2.24
Rot. Bonds2

About (2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97487255) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97487255
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCO[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)C1
InChIInChI=1S/C16H20FNO3/c1-20-12-10-16(21-11-12)6-8-18(9-7-16)15(19)13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3/t12-/m1/s1
InChIKeyXARKAKYGFULZQM-GFCCVEGCSA-N
XLogP2.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone
CID 131689296
(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418003
(2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 155876839
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
(3R,5R)-7-[(2-fluorophenyl)methyl]-3-methoxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394141
1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 124997211
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131689476
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone
CID 131663291
(4-fluoro-2-methylphenyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97423053
2-(4-fluoro-2-methylphenyl)-1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477002
2-(4-fluoro-2-methylphenyl)-1-[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477001
3-(2-chlorophenyl)-1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 97476919

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97487255) is (2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is CO[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)C1.
What is the InChIKey of (2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is XARKAKYGFULZQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-20-12-10-16(21-11-12)6-8-18(9-7-16)15(19)13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of (2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 293.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97487255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).