8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H19F9N2O3 — CID 11992798

IUPAC8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H19F9N2O3/c25-22(26,27)16-3-1-14(2-4-16)12-35-13-21(38-20(35)37)5-7-34(8-6-21)19(36)15-9-17(23(28,29)30)11-18(10-15)24(31,32)33/h1-4,9-11H,5-8,12-13H2
InChIKeyFOPKBVJVHLVUPQ-UHFFFAOYSA-N
MW554.41 g/mol
LogP6.37
Rot. Bonds3

About 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 11992798) has the molecular formula C24H19F9N2O3 and a molecular weight of 554.41 g/mol. Its IUPAC name is 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID11992798
Molecular FormulaC24H19F9N2O3
Molecular Weight554.41 g/mol
Exact Mass554.13
IUPAC Name8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H19F9N2O3/c25-22(26,27)16-3-1-14(2-4-16)12-35-13-21(38-20(35)37)5-7-34(8-6-21)19(36)15-9-17(23(28,29)30)11-18(10-15)24(31,32)33/h1-4,9-11H,5-8,12-13H2
InChIKeyFOPKBVJVHLVUPQ-UHFFFAOYSA-N
XLogP6.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.41
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[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 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 11992798) is 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FOPKBVJVHLVUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F9N2O3/c25-22(26,27)16-3-1-14(2-4-16)12-35-13-21(38-20(35)37)5-7-34(8-6-21)19(36)15-9-17(23(28,29)30)11-18(10-15)24(31,32)33/h1-4,9-11H,5-8,12-13H2.
What are the key properties of 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 554.41 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,5-bis(trifluoromethyl)benzoyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 11992798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).