7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane

C18H26FNO4S — CID 155881267

IUPAC7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)S(=O)(=O)N1CC2(CC(CCOCc3ccccc3F)CO2)C1
InChIInChI=1S/C18H26FNO4S/c1-14(2)25(21,22)20-12-18(13-20)9-15(10-24-18)7-8-23-11-16-5-3-4-6-17(16)19/h3-6,14-15H,7-13H2,1-2H3
InChIKeyWEYXWXNPPVSETA-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.56
Rot. Bonds7

About 7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane

7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 155881267) has the molecular formula C18H26FNO4S and a molecular weight of 371.47 g/mol. Its IUPAC name is 7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID155881267
Molecular FormulaC18H26FNO4S
Molecular Weight371.47 g/mol
Exact Mass371.16
IUPAC Name7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)S(=O)(=O)N1CC2(CC(CCOCc3ccccc3F)CO2)C1
InChIInChI=1S/C18H26FNO4S/c1-14(2)25(21,22)20-12-18(13-20)9-15(10-24-18)7-8-23-11-16-5-3-4-6-17(16)19/h3-6,14-15H,7-13H2,1-2H3
InChIKeyWEYXWXNPPVSETA-UHFFFAOYSA-N
XLogP2.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.56
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

7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octane
CID 155880612
(3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 154582309
1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone
CID 154582269
2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 155880821
4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829895
1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 124997211
2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131692753
[7-[2-[(3-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 154582274
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
(3R,5R)-7-[(2-fluorophenyl)methyl]-3-methoxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394141
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 131692014

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane (CID 155881267) is 7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane is CC(C)S(=O)(=O)N1CC2(CC(CCOCc3ccccc3F)CO2)C1.
What is the InChIKey of 7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is WEYXWXNPPVSETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO4S/c1-14(2)25(21,22)20-12-18(13-20)9-15(10-24-18)7-8-23-11-16-5-3-4-6-17(16)19/h3-6,14-15H,7-13H2,1-2H3.
What are the key properties of 7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 371.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 155881267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).