(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C21H28FNO4 — CID 131663304

IUPAC(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CC2(C1)OCCC2CCOCC1CCOCC1
InChIInChI=1S/C21H28FNO4/c22-19-3-1-2-17(12-19)20(24)23-14-21(15-23)18(7-11-27-21)6-10-26-13-16-4-8-25-9-5-16/h1-3,12,16,18H,4-11,13-15H2
InChIKeyRIYWHRMORXVIAJ-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.89
Rot. Bonds6

About (3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 131663304) has the molecular formula C21H28FNO4 and a molecular weight of 377.46 g/mol. Its IUPAC name is (3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID131663304
Molecular FormulaC21H28FNO4
Molecular Weight377.46 g/mol
Exact Mass377.20
IUPAC Name(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CC2(C1)OCCC2CCOCC1CCOCC1
InChIInChI=1S/C21H28FNO4/c22-19-3-1-2-17(12-19)20(24)23-14-21(15-23)18(7-11-27-21)6-10-26-13-16-4-8-25-9-5-16/h1-3,12,16,18H,4-11,13-15H2
InChIKeyRIYWHRMORXVIAJ-UHFFFAOYSA-N
XLogP2.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658402
(3-fluoro-4-methylphenyl)-[8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658166
1,3-benzodioxol-5-yl-[8-[2-(cyclopropylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663962
[(4R)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3,4-difluorophenyl)methanone
CID 124789427
[(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3,4-difluorophenyl)methanone
CID 124789426
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131663288
[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131658029
(3-fluorophenyl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677662
[(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
CID 124816688
2-[(3-methoxyphenyl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 131658782
(8S)-2-[(3-methoxyphenyl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124796778
[(8S)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-naphthalen-2-ylmethanone
CID 124790508

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 131663304) is (3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is O=C(c1cccc(F)c1)N1CC2(C1)OCCC2CCOCC1CCOCC1.
What is the InChIKey of (3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is RIYWHRMORXVIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO4/c22-19-3-1-2-17(12-19)20(24)23-14-21(15-23)18(7-11-27-21)6-10-26-13-16-4-8-25-9-5-16/h1-3,12,16,18H,4-11,13-15H2.
What are the key properties of (3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 377.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 131663304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).