(2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

C14H15F2NO2S — CID 56764630

IUPAC(2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCC2(CC1)OCCS2
InChIInChI=1S/C14H15F2NO2S/c15-10-1-2-11(12(16)9-10)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8H2
InChIKeyWLNLBNYZYXKVKL-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.66
Rot. Bonds1

About (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

(2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 56764630) has the molecular formula C14H15F2NO2S and a molecular weight of 299.34 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID56764630
Molecular FormulaC14H15F2NO2S
Molecular Weight299.34 g/mol
Exact Mass299.08
IUPAC Name(2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCC2(CC1)OCCS2
InChIInChI=1S/C14H15F2NO2S/c15-10-1-2-11(12(16)9-10)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8H2
InChIKeyWLNLBNYZYXKVKL-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone 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 (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (CID 56764630) is (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1ccc(F)cc1F)N1CCC2(CC1)OCCS2.
What is the InChIKey of (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is WLNLBNYZYXKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S/c15-10-1-2-11(12(16)9-10)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8H2.
What are the key properties of (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
(2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 299.34 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 56764630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).