3-(trifluoromethylselanyl)chromen-4-one

C10H5F3O2Se — CID 162513733

IUPAC3-(trifluoromethylselanyl)chromen-4-one
SMILESO=c1c([Se]C(F)(F)F)coc2ccccc12
InChIInChI=1S/C10H5F3O2Se/c11-10(12,13)16-8-5-15-7-4-2-1-3-6(7)9(8)14/h1-5H
InChIKeyUGXSEVLCZRVMHQ-UHFFFAOYSA-N
MW293.10 g/mol
LogP1.64
Rot. Bonds1

About 3-(trifluoromethylselanyl)chromen-4-one

3-(trifluoromethylselanyl)chromen-4-one (PubChem CID 162513733) has the molecular formula C10H5F3O2Se and a molecular weight of 293.10 g/mol. Its IUPAC name is 3-(trifluoromethylselanyl)chromen-4-one.

Molecular Properties

Compound Name3-(trifluoromethylselanyl)chromen-4-one
PubChem CID162513733
Molecular FormulaC10H5F3O2Se
Molecular Weight293.10 g/mol
Exact Mass293.94
IUPAC Name3-(trifluoromethylselanyl)chromen-4-one
SMILESO=c1c([Se]C(F)(F)F)coc2ccccc12
InChIInChI=1S/C10H5F3O2Se/c11-10(12,13)16-8-5-15-7-4-2-1-3-6(7)9(8)14/h1-5H
InChIKeyUGXSEVLCZRVMHQ-UHFFFAOYSA-N
XLogP1.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(trifluoromethylselanyl)chromen-4-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 143974471
CID 143974471
benzene;3-hydroxychromen-4-one
CID 175480795
3-[[3-(trifluoromethyl)anilino]methyl]chromen-4-one
CID 175346949
3-(2-aminoethyl)chromen-4-one
CID 55212083
3-phenylchromen-4-one;phosphane
CID 174413449
ethane;3-phenylchromen-4-one
CID 90946880
3-pyrazol-1-ylchromen-4-one
CID 56996312
3-(2,5-difluorophenyl)chromen-4-one
CID 141334280
amino formate;3-phenylchromen-4-one
CID 174767747
3-piperazin-1-ylchromen-4-one
CID 142793533
trifluoromethanesulfonic acid;xanthen-9-one
CID 161488852
3-(4-amino-2-fluorophenyl)chromen-4-one
CID 167449525

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylselanyl)chromen-4-one?
The IUPAC name of 3-(trifluoromethylselanyl)chromen-4-one (CID 162513733) is 3-(trifluoromethylselanyl)chromen-4-one.
What is the SMILES notation for 3-(trifluoromethylselanyl)chromen-4-one?
The canonical SMILES for 3-(trifluoromethylselanyl)chromen-4-one is O=c1c([Se]C(F)(F)F)coc2ccccc12.
What is the InChIKey of 3-(trifluoromethylselanyl)chromen-4-one?
The InChIKey is UGXSEVLCZRVMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O2Se/c11-10(12,13)16-8-5-15-7-4-2-1-3-6(7)9(8)14/h1-5H.
What are the key properties of 3-(trifluoromethylselanyl)chromen-4-one?
3-(trifluoromethylselanyl)chromen-4-one has a molecular weight of 293.10 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylselanyl)chromen-4-one is sourced from PubChem (CID 162513733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).