[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C19H24FNO3 — CID 97077235

IUPAC[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(N1CC[C@]2(CCOC2)C1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H24FNO3/c20-16-3-1-2-15(12-16)19(6-10-23-11-7-19)17(22)21-8-4-18(13-21)5-9-24-14-18/h1-3,12H,4-11,13-14H2/t18-/m0/s1
InChIKeyIXQQSUTVQJDOMY-SFHVURJKSA-N
MW333.40 g/mol
LogP2.51
Rot. Bonds2

About [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 97077235) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID97077235
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(N1CC[C@]2(CCOC2)C1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H24FNO3/c20-16-3-1-2-15(12-16)19(6-10-23-11-7-19)17(22)21-8-4-18(13-21)5-9-24-14-18/h1-3,12H,4-11,13-14H2/t18-/m0/s1
InChIKeyIXQQSUTVQJDOMY-SFHVURJKSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone with MolForge

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Related Compounds

2,7-diazaspiro[4.5]decan-7-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 126815571
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120818399
3-benzyl-7-[4-(3-fluorophenyl)oxane-4-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110148617
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 71976708
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 124589559
(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid
CID 125150565
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120658609
2-[(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133780
3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119259632
1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110148571
[4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 76870125

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 97077235) is [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is O=C(N1CC[C@]2(CCOC2)C1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is IXQQSUTVQJDOMY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24FNO3/c20-16-3-1-2-15(12-16)19(6-10-23-11-7-19)17(22)21-8-4-18(13-21)5-9-24-14-18/h1-3,12H,4-11,13-14H2/t18-/m0/s1.
What are the key properties of [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 333.40 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 97077235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).