propan-2-yl 2-fluoro-3-phenylselanylbutanoate

C13H17FO2Se — CID 154713319

IUPACpropan-2-yl 2-fluoro-3-phenylselanylbutanoate
SMILESCC(C)OC(=O)C(F)C(C)[Se]c1ccccc1
InChIInChI=1S/C13H17FO2Se/c1-9(2)16-13(15)12(14)10(3)17-11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyHDYZMHXBPPUIJJ-UHFFFAOYSA-N
MW303.24 g/mol
LogP2.11
Rot. Bonds5

About propan-2-yl 2-fluoro-3-phenylselanylbutanoate

propan-2-yl 2-fluoro-3-phenylselanylbutanoate (PubChem CID 154713319) has the molecular formula C13H17FO2Se and a molecular weight of 303.24 g/mol. Its IUPAC name is propan-2-yl 2-fluoro-3-phenylselanylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 2-fluoro-3-phenylselanylbutanoate
PubChem CID154713319
Molecular FormulaC13H17FO2Se
Molecular Weight303.24 g/mol
Exact Mass304.04
IUPAC Namepropan-2-yl 2-fluoro-3-phenylselanylbutanoate
SMILESCC(C)OC(=O)C(F)C(C)[Se]c1ccccc1
InChIInChI=1S/C13H17FO2Se/c1-9(2)16-13(15)12(14)10(3)17-11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyHDYZMHXBPPUIJJ-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.11
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

methyl 2-phenylselanylpropanoate
CID 5323788
propan-2-yl (2S)-2-bromo-2-phenylacetate
CID 124636083
propan-2-yl 4-hydroxy-2-phenylbutanoate
CID 145423942
(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride
CID 2827639
octan-2-yl 2-phenylselanylpropanoate
CID 615469
ethane;propan-2-yl 2-phenylpentanoate
CID 145424000
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
propan-2-yl (2R)-2-benzyl-3-methylbutanoate
CID 89429198
propan-2-yl (2S)-2-benzyl-3-methylbutanoate
CID 132595294
propan-2-yl 2-benzoylsulfanylpropanoate
CID 71435819
propan-2-yl 2-phenylheptanoate
CID 11075819
propan-2-yl 2-amino-3-phenoxypropanoate
CID 123209648

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-fluoro-3-phenylselanylbutanoate?
The IUPAC name of propan-2-yl 2-fluoro-3-phenylselanylbutanoate (CID 154713319) is propan-2-yl 2-fluoro-3-phenylselanylbutanoate.
What is the SMILES notation for propan-2-yl 2-fluoro-3-phenylselanylbutanoate?
The canonical SMILES for propan-2-yl 2-fluoro-3-phenylselanylbutanoate is CC(C)OC(=O)C(F)C(C)[Se]c1ccccc1.
What is the InChIKey of propan-2-yl 2-fluoro-3-phenylselanylbutanoate?
The InChIKey is HDYZMHXBPPUIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2Se/c1-9(2)16-13(15)12(14)10(3)17-11-7-5-4-6-8-11/h4-10,12H,1-3H3.
What are the key properties of propan-2-yl 2-fluoro-3-phenylselanylbutanoate?
propan-2-yl 2-fluoro-3-phenylselanylbutanoate has a molecular weight of 303.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-fluoro-3-phenylselanylbutanoate is sourced from PubChem (CID 154713319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).