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

C24H23F2NO3 — CID 19887352

IUPAC8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC=C1OC(=O)OC12CCN(CCC=C(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C24H23F2NO3/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/h3-11H,1-2,12-16H2
InChIKeyBSORSXKISMDECI-UHFFFAOYSA-N
MW411.45 g/mol
LogP5.30
Rot. Bonds5

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

8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 19887352) has the molecular formula C24H23F2NO3 and a molecular weight of 411.45 g/mol. Its IUPAC name is 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID19887352
Molecular FormulaC24H23F2NO3
Molecular Weight411.45 g/mol
Exact Mass411.16
IUPAC Name8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC=C1OC(=O)OC12CCN(CCC=C(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C24H23F2NO3/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/h3-11H,1-2,12-16H2
InChIKeyBSORSXKISMDECI-UHFFFAOYSA-N
XLogP5.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
8-[4,4-Bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 3077291
7-[4,4-Bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 19895570
8-Benzyl-4-methylene-2-oxo-1,3-dioxa-8-azaspiro[4,5]decane
CID 19814218
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

Frequently Asked Questions

What is the IUPAC name of 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 19887352) is 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one is C=C1OC(=O)OC12CCN(CCC=C(c1ccc(F)cc1)c1ccc(F)cc1)CC2.
What is the InChIKey of 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is BSORSXKISMDECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3/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/h3-11H,1-2,12-16H2.
What are the key properties of 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 411.45 g/mol, XLogP of 5.30, 5 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)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 19887352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).