3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane

C16H22FNO — CID 110138342

IUPAC3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESCN1CCC2(CC1)COC(Cc1cccc(F)c1)C2
InChIInChI=1S/C16H22FNO/c1-18-7-5-16(6-8-18)11-15(19-12-16)10-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3
InChIKeyUIHWIOAUESFHRG-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.87
Rot. Bonds2

About 3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane

3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 110138342) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane
PubChem CID110138342
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESCN1CCC2(CC1)COC(Cc1cccc(F)c1)C2
InChIInChI=1S/C16H22FNO/c1-18-7-5-16(6-8-18)11-15(19-12-16)10-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3
InChIKeyUIHWIOAUESFHRG-UHFFFAOYSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(3-fluorophenyl)methyl]-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 125004078
2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
CID 124950946
(3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124983316
(4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124989124
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(3S)-3-[(3-fluorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129458544
2-[(3-fluorophenyl)methyl]-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138596
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
(7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 125000857
7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 155984117
1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 124951514
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane (CID 110138342) is 3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane is CN1CCC2(CC1)COC(Cc1cccc(F)c1)C2.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is UIHWIOAUESFHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18-7-5-16(6-8-18)11-15(19-12-16)10-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane?
3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 263.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 110138342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).