ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one

C42H62F2N2O6 — CID 176700889

IUPACethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one
SMILESCC.CC(C)c1ccc(F)cc1OCCOCCN1CCC2(CCC2)C1=O.Cc1ccc(F)cc1OCCOCCN1CCC2(CCCCC2)C1=O
InChIInChI=1S/2C20H28FNO3.C2H6/c1-15(2)17-5-4-16(21)14-18(17)25-13-12-24-11-10-22-9-8-20(19(22)23)6-3-7-20;1-16-5-6-17(21)15-18(16)25-14-13-24-12-11-22-10-9-20(19(22)23)7-3-2-4-8-20;1-2/h4-5,14-15H,3,6-13H2,1-2H3;5-6,15H,2-4,7-14H2,1H3;1-2H3
InChIKeyYRNOGWJYARMJFU-UHFFFAOYSA-N
MW728.96 g/mol
LogP8.49
Rot. Bonds15

About ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one

ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one (PubChem CID 176700889) has the molecular formula C42H62F2N2O6 and a molecular weight of 728.96 g/mol. Its IUPAC name is ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one.

Molecular Properties

Compound Nameethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one
PubChem CID176700889
Molecular FormulaC42H62F2N2O6
Molecular Weight728.96 g/mol
Exact Mass728.46
IUPAC Nameethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one
SMILESCC.CC(C)c1ccc(F)cc1OCCOCCN1CCC2(CCC2)C1=O.Cc1ccc(F)cc1OCCOCCN1CCC2(CCCCC2)C1=O
InChIInChI=1S/2C20H28FNO3.C2H6/c1-15(2)17-5-4-16(21)14-18(17)25-13-12-24-11-10-22-9-8-20(19(22)23)6-3-7-20;1-16-5-6-17(21)15-18(16)25-14-13-24-12-11-22-10-9-20(19(22)23)7-3-2-4-8-20;1-2/h4-5,14-15H,3,6-13H2,1-2H3;5-6,15H,2-4,7-14H2,1H3;1-2H3
InChIKeyYRNOGWJYARMJFU-UHFFFAOYSA-N
XLogP8.49
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.96
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one with MolForge

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Related Compounds

tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
CID 176700845
3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide
CID 176700307
3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane
CID 176701242
1-(2-chloroacetyl)-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine-3-carboxamide
CID 176701492
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide
CID 176701362
6-[2-[2-[5-fluoro-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazin-7-yl]phenoxy]ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one
CID 176700271
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
(1-prop-2-enoylpyrrolidin-2-yl)methyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate
CID 176700276
1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63068202
ethane;1-(prop-2-enoylamino)propan-2-yl N-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]carbamate
CID 176700697
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 102986518

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one?
The IUPAC name of ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one (CID 176700889) is ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one.
What is the SMILES notation for ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one?
The canonical SMILES for ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one is CC.CC(C)c1ccc(F)cc1OCCOCCN1CCC2(CCC2)C1=O.Cc1ccc(F)cc1OCCOCCN1CCC2(CCCCC2)C1=O.
What is the InChIKey of ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one?
The InChIKey is YRNOGWJYARMJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H28FNO3.C2H6/c1-15(2)17-5-4-16(21)14-18(17)25-13-12-24-11-10-22-9-8-20(19(22)23)6-3-7-20;1-16-5-6-17(21)15-18(16)25-14-13-24-12-11-22-10-9-20(19(22)23)7-3-2-4-8-20;1-2/h4-5,14-15H,3,6-13H2,1-2H3;5-6,15H,2-4,7-14H2,1H3;1-2H3.
What are the key properties of ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one?
ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one has a molecular weight of 728.96 g/mol, XLogP of 8.49, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one is sourced from PubChem (CID 176700889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).