6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione

C15H12F3N3O4 — CID 139755616

IUPAC6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione
SMILESO=c1oc2nc(CCCNc3cccc(C(F)(F)F)c3)cn2oc1=O
InChIInChI=1S/C15H12F3N3O4/c16-15(17,18)9-3-1-4-10(7-9)19-6-2-5-11-8-21-14(20-11)24-12(22)13(23)25-21/h1,3-4,7-8,19H,2,5-6H2
InChIKeyUHDJTRZRMPJDAU-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.30
Rot. Bonds5

About 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione

6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione (PubChem CID 139755616) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione.

Molecular Properties

Compound Name6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione
PubChem CID139755616
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC Name6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione
SMILESO=c1oc2nc(CCCNc3cccc(C(F)(F)F)c3)cn2oc1=O
InChIInChI=1S/C15H12F3N3O4/c16-15(17,18)9-3-1-4-10(7-9)19-6-2-5-11-8-21-14(20-11)24-12(22)13(23)25-21/h1,3-4,7-8,19H,2,5-6H2
InChIKeyUHDJTRZRMPJDAU-UHFFFAOYSA-N
XLogP2.30
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione with MolForge

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Related Compounds

N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 83960475
3-[3-(trifluoromethyl)anilino]propane-1-sulfonic acid
CID 134094897
2-amino-4-methyl-5-[3-[3-(trifluoromethyl)anilino]propyl]-1H-pyrimidin-6-one
CID 135491140
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-hept-6-enyl-3-(trifluoromethyl)aniline
CID 107006422
methyl 3-[3-(trifluoromethyl)anilino]propanoate
CID 43365338
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
(2S)-1,1,1-trifluoro-4-[3-(trifluoromethyl)anilino]butan-2-ol
CID 1477628
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
4-[[3-(trifluoromethyl)anilino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103232147

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione?
The IUPAC name of 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione (CID 139755616) is 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione.
What is the SMILES notation for 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione?
The canonical SMILES for 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione is O=c1oc2nc(CCCNc3cccc(C(F)(F)F)c3)cn2oc1=O.
What is the InChIKey of 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione?
The InChIKey is UHDJTRZRMPJDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c16-15(17,18)9-3-1-4-10(7-9)19-6-2-5-11-8-21-14(20-11)24-12(22)13(23)25-21/h1,3-4,7-8,19H,2,5-6H2.
What are the key properties of 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione?
6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione has a molecular weight of 355.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(trifluoromethyl)anilino]propyl]imidazo[1,2-b][1,4,2]dioxazine-2,3-dione is sourced from PubChem (CID 139755616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).