2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one

C18H17FOSe — CID 146161588

IUPAC2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
SMILESO=C1CCCC1(C[Se]c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H17FOSe/c19-15-10-8-14(9-11-15)18(12-4-7-17(18)20)13-21-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2
InChIKeyUUUFNZZXZBXYAU-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.26
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one

2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one (PubChem CID 146161588) has the molecular formula C18H17FOSe and a molecular weight of 347.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
PubChem CID146161588
Molecular FormulaC18H17FOSe
Molecular Weight347.29 g/mol
Exact Mass348.04
IUPAC Name2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
SMILESO=C1CCCC1(C[Se]c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H17FOSe/c19-15-10-8-14(9-11-15)18(12-4-7-17(18)20)13-21-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2
InChIKeyUUUFNZZXZBXYAU-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one (CID 146161588) is 2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one is O=C1CCCC1(C[Se]c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one?
The InChIKey is UUUFNZZXZBXYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FOSe/c19-15-10-8-14(9-11-15)18(12-4-7-17(18)20)13-21-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2.
What are the key properties of 2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one?
2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one has a molecular weight of 347.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one is sourced from PubChem (CID 146161588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).