(3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane

C18H26FNO2 — CID 124983316

IUPAC(3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCOCCN1CCC2(CC1)CO[C@H](Cc1ccc(F)cc1)C2
InChIInChI=1S/C18H26FNO2/c1-21-11-10-20-8-6-18(7-9-20)13-17(22-14-18)12-15-2-4-16(19)5-3-15/h2-5,17H,6-14H2,1H3/t17-/m1/s1
InChIKeyNCWSYPVYBODKBF-QGZVFWFLSA-N
MW307.41 g/mol
LogP2.89
Rot. Bonds5

About (3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane

(3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 124983316) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID124983316
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name(3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCOCCN1CCC2(CC1)CO[C@H](Cc1ccc(F)cc1)C2
InChIInChI=1S/C18H26FNO2/c1-21-11-10-20-8-6-18(7-9-20)13-17(22-14-18)12-15-2-4-16(19)5-3-15/h2-5,17H,6-14H2,1H3/t17-/m1/s1
InChIKeyNCWSYPVYBODKBF-QGZVFWFLSA-N
XLogP2.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane
CID 110138342
(7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 124987304
(3S)-3-[(3-fluorophenyl)methyl]-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 125004078
1-[(3S)-3-[(4-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124994566
(3S)-8-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97417981
7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 110138617
2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131651656
2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
CID 124950946
7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane
CID 167041007
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
(3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 97418031
(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418059

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane (CID 124983316) is (3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane is COCCN1CCC2(CC1)CO[C@H](Cc1ccc(F)cc1)C2.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is NCWSYPVYBODKBF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-21-11-10-20-8-6-18(7-9-20)13-17(22-14-18)12-15-2-4-16(19)5-3-15/h2-5,17H,6-14H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane?
(3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 307.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124983316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).