2-(4-ethoxy-2,3-difluorophenyl)selenophene

C12H10F2OSe — CID 59456301

IUPAC2-(4-ethoxy-2,3-difluorophenyl)selenophene
SMILESCCOc1ccc(-c2ccc[se]2)c(F)c1F
InChIInChI=1S/C12H10F2OSe/c1-2-15-9-6-5-8(11(13)12(9)14)10-4-3-7-16-10/h3-7H,2H2,1H3
InChIKeyFILCPQBCXLNTLO-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-ethoxy-2,3-difluorophenyl)selenophene

2-(4-ethoxy-2,3-difluorophenyl)selenophene (PubChem CID 59456301) has the molecular formula C12H10F2OSe and a molecular weight of 287.17 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-difluorophenyl)selenophene.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-difluorophenyl)selenophene
PubChem CID59456301
Molecular FormulaC12H10F2OSe
Molecular Weight287.17 g/mol
Exact Mass287.99
IUPAC Name2-(4-ethoxy-2,3-difluorophenyl)selenophene
SMILESCCOc1ccc(-c2ccc[se]2)c(F)c1F
InChIInChI=1S/C12H10F2OSe/c1-2-15-9-6-5-8(11(13)12(9)14)10-4-3-7-16-10/h3-7H,2H2,1H3
InChIKeyFILCPQBCXLNTLO-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene
CID 159572686
2-(4-ethoxy-2,3-difluorophenyl)thiophene
CID 143775731
1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
CID 22008080
1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
CID 58402522
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione
CID 168517399
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-(2,3-difluoro-4-propylsulfanylphenyl)-4-ethoxy-2,3-difluorobenzene
CID 167433414
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene
CID 12067450
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
3-butoxy-6-(4-ethoxy-2,3-difluorophenyl)-2-fluorophenol
CID 148736390

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)selenophene?
The IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)selenophene (CID 59456301) is 2-(4-ethoxy-2,3-difluorophenyl)selenophene.
What is the SMILES notation for 2-(4-ethoxy-2,3-difluorophenyl)selenophene?
The canonical SMILES for 2-(4-ethoxy-2,3-difluorophenyl)selenophene is CCOc1ccc(-c2ccc[se]2)c(F)c1F.
What is the InChIKey of 2-(4-ethoxy-2,3-difluorophenyl)selenophene?
The InChIKey is FILCPQBCXLNTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2OSe/c1-2-15-9-6-5-8(11(13)12(9)14)10-4-3-7-16-10/h3-7H,2H2,1H3.
What are the key properties of 2-(4-ethoxy-2,3-difluorophenyl)selenophene?
2-(4-ethoxy-2,3-difluorophenyl)selenophene has a molecular weight of 287.17 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,3-difluorophenyl)selenophene is sourced from PubChem (CID 59456301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).