7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C24H23F2NO3 — CID 19895570

IUPAC7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC=C1OC(=O)OC12CCNC(CCC=C(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C24H23F2NO3/c1-16-24(30-23(28)29-16)13-14-27-21(15-24)3-2-4-22(17-5-9-19(25)10-6-17)18-7-11-20(26)12-8-18/h4-12,21,27H,1-3,13-15H2
InChIKeyIPLACNQDYMPETG-UHFFFAOYSA-N
MW411.45 g/mol
LogP5.35
Rot. Bonds5

About 7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one

7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 19895570) has the molecular formula C24H23F2NO3 and a molecular weight of 411.45 g/mol. Its IUPAC name is 7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID19895570
Molecular FormulaC24H23F2NO3
Molecular Weight411.45 g/mol
Exact Mass411.16
IUPAC Name7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC=C1OC(=O)OC12CCNC(CCC=C(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C24H23F2NO3/c1-16-24(30-23(28)29-16)13-14-27-21(15-24)3-2-4-22(17-5-9-19(25)10-6-17)18-7-11-20(26)12-8-18/h4-12,21,27H,1-3,13-15H2
InChIKeyIPLACNQDYMPETG-UHFFFAOYSA-N
XLogP5.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 19895570) is 7-[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 7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one is C=C1OC(=O)OC12CCNC(CCC=C(c1ccc(F)cc1)c1ccc(F)cc1)C2.
What is the InChIKey of 7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is IPLACNQDYMPETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3/c1-16-24(30-23(28)29-16)13-14-27-21(15-24)3-2-4-22(17-5-9-19(25)10-6-17)18-7-11-20(26)12-8-18/h4-12,21,27H,1-3,13-15H2.
What are the key properties of 7-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
7-[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 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[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 19895570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).