8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C24H25F2NO3 — CID 3077291

IUPAC8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC=C1OC(=O)OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C24H25F2NO3/c1-17-24(30-23(28)29-17)12-15-27(16-13-24)14-2-3-22(18-4-8-20(25)9-5-18)19-6-10-21(26)11-7-19/h4-11,22H,1-3,12-16H2
InChIKeyRINGGRQYDNFYMI-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.39
Rot. Bonds6

About 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 3077291) has the molecular formula C24H25F2NO3 and a molecular weight of 413.46 g/mol. Its IUPAC name is 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID3077291
Molecular FormulaC24H25F2NO3
Molecular Weight413.46 g/mol
Exact Mass413.18
IUPAC Name8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC=C1OC(=O)OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C24H25F2NO3/c1-17-24(30-23(28)29-17)12-15-27(16-13-24)14-2-3-22(18-4-8-20(25)9-5-18)19-6-10-21(26)11-7-19/h4-11,22H,1-3,12-16H2
InChIKeyRINGGRQYDNFYMI-UHFFFAOYSA-N
XLogP5.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4,4-Bis(4-fluorophenyl)-3-butenyl]-4-methylene-2-oxo-1,3-dioxa-8-azaspiro[4,5]decane
CID 19887352
1,3-Dioxa-8-azaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-4-methylene-, (Z)-2-butenedioate (1:1)
CID 6449302
8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
8-[(2E)-3-(4-Fluorophenyl)prop-2-EN-1-YL]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74233789
8-(2,2-Diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74242620
7-[4,4-Bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 19895570
8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one;(Z)-but-2-enedioic acid
CID 20841230
1-(3,3-Diphenylpropyl)-4-piperidone ethylene ketal
CID 91000717

Frequently Asked Questions

What is the IUPAC name of 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 3077291) is 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one is C=C1OC(=O)OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2.
What is the InChIKey of 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is RINGGRQYDNFYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO3/c1-17-24(30-23(28)29-17)12-15-27(16-13-24)14-2-3-22(18-4-8-20(25)9-5-18)19-6-10-21(26)11-7-19/h4-11,22H,1-3,12-16H2.
What are the key properties of 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 413.46 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).