(2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate

C11H9F5O2Se — CID 10383030

IUPAC(2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate
SMILESCC(=O)OC([Se]c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F5O2Se/c1-7(17)18-9(10(12,13)11(14,15)16)19-8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKeyHTZQGGRXAJJONO-UHFFFAOYSA-N
MW347.14 g/mol
LogP2.10
Rot. Bonds4

About (2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate

(2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate (PubChem CID 10383030) has the molecular formula C11H9F5O2Se and a molecular weight of 347.14 g/mol. Its IUPAC name is (2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate.

Molecular Properties

Compound Name(2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate
PubChem CID10383030
Molecular FormulaC11H9F5O2Se
Molecular Weight347.14 g/mol
Exact Mass347.97
IUPAC Name(2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate
SMILESCC(=O)OC([Se]c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F5O2Se/c1-7(17)18-9(10(12,13)11(14,15)16)19-8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKeyHTZQGGRXAJJONO-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate?
The IUPAC name of (2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate (CID 10383030) is (2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate.
What is the SMILES notation for (2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate?
The canonical SMILES for (2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate is CC(=O)OC([Se]c1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of (2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate?
The InChIKey is HTZQGGRXAJJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O2Se/c1-7(17)18-9(10(12,13)11(14,15)16)19-8-5-3-2-4-6-8/h2-6,9H,1H3.
What are the key properties of (2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate?
(2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate has a molecular weight of 347.14 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,3-pentafluoro-1-phenylselanylpropyl) acetate is sourced from PubChem (CID 10383030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).