2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

C20H28FNO4 — CID 91907732

IUPAC2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCOCCOC1CCOC2(CCN(C(=O)Cc3ccccc3F)CC2)C1
InChIInChI=1S/C20H28FNO4/c1-24-12-13-25-17-6-11-26-20(15-17)7-9-22(10-8-20)19(23)14-16-4-2-3-5-18(16)21/h2-5,17H,6-15H2,1H3
InChIKeyBNLGZLAANXGPKC-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.57
Rot. Bonds6

About 2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 91907732) has the molecular formula C20H28FNO4 and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID91907732
Molecular FormulaC20H28FNO4
Molecular Weight365.45 g/mol
Exact Mass365.20
IUPAC Name2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCOCCOC1CCOC2(CCN(C(=O)Cc3ccccc3F)CC2)C1
InChIInChI=1S/C20H28FNO4/c1-24-12-13-25-17-6-11-26-20(15-17)7-9-22(10-8-20)19(23)14-16-4-2-3-5-18(16)21/h2-5,17H,6-15H2,1H3
InChIKeyBNLGZLAANXGPKC-UHFFFAOYSA-N
XLogP2.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.57
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

9-(2,5-Difluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917965
2-(3-Fluorophenyl)-1-{1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 110203850
2-(2-Fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-YL]ethan-1-one
CID 53150862
2-(4-Fluorophenyl)-1-[4-(2-methoxyethyl)piperidino]-1-ethanone
CID 53150869
[4-(3-Fluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 53512400
2-(3-Fluorophenyl)-1-[4-(2-methoxyethoxy)piperidin-1-YL]ethan-1-one
CID 72011463
9-{[2-(Trifluoromethyl)phenyl]acetyl}-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72938921
9-(3-Fluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91907693
2-(2-Fluorophenyl)-1-{4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 91917959
9-(4-Fluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917972
9-(2-Fluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917974
2-(3-Fluorophenyl)-1-{4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 91917976

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 91907732) is 2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is COCCOC1CCOC2(CCN(C(=O)Cc3ccccc3F)CC2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is BNLGZLAANXGPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO4/c1-24-12-13-25-17-6-11-26-20(15-17)7-9-22(10-8-20)19(23)14-16-4-2-3-5-18(16)21/h2-5,17H,6-15H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 365.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 91907732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).