Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate

C10H8F2O2Se — CID 151033646

IUPACSe-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate
SMILESCC(=O)C[Se]C(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H8F2O2Se/c1-6(13)5-15-10(14)8-3-2-7(11)4-9(8)12/h2-4H,5H2,1H3
InChIKeyMAPFKGCKKOVBOI-UHFFFAOYSA-N
MW277.13 g/mol
LogP1.82
Rot. Bonds4

About Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate

Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate (PubChem CID 151033646) has the molecular formula C10H8F2O2Se and a molecular weight of 277.13 g/mol. Its IUPAC name is Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate.

Molecular Properties

Compound NameSe-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate
PubChem CID151033646
Molecular FormulaC10H8F2O2Se
Molecular Weight277.13 g/mol
Exact Mass277.97
IUPAC NameSe-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate
SMILESCC(=O)C[Se]C(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H8F2O2Se/c1-6(13)5-15-10(14)8-3-2-7(11)4-9(8)12/h2-4H,5H2,1H3
InChIKeyMAPFKGCKKOVBOI-UHFFFAOYSA-N
XLogP1.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
2,4-difluorobenzoyl bromide
CID 87349807
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
2,4-difluorobenzamide;dihydrochloride
CID 22032026
1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone
CID 10822582
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
2-(2,4-difluorobenzoyl)propanedioate
CID 19379742
2-chloro-1-(2,4-difluorophenyl)butan-1-one
CID 130136877

Frequently Asked Questions

What is the IUPAC name of Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate?
The IUPAC name of Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate (CID 151033646) is Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate.
What is the SMILES notation for Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate?
The canonical SMILES for Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate is CC(=O)C[Se]C(=O)c1ccc(F)cc1F.
What is the InChIKey of Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate?
The InChIKey is MAPFKGCKKOVBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2Se/c1-6(13)5-15-10(14)8-3-2-7(11)4-9(8)12/h2-4H,5H2,1H3.
What are the key properties of Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate?
Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate has a molecular weight of 277.13 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate is sourced from PubChem (CID 151033646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).