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

C18H17FOSe — CID 146161599

IUPAC2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
SMILESO=C1CCCC1(C[Se]c1ccccc1)c1ccccc1F
InChIInChI=1S/C18H17FOSe/c19-16-10-5-4-9-15(16)18(12-6-11-17(18)20)13-21-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2
InChIKeyGNHBXDUGJAMPTJ-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.26
Rot. Bonds4

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

2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one (PubChem CID 146161599) has the molecular formula C18H17FOSe and a molecular weight of 347.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
PubChem CID146161599
Molecular FormulaC18H17FOSe
Molecular Weight347.29 g/mol
Exact Mass348.04
IUPAC Name2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
SMILESO=C1CCCC1(C[Se]c1ccccc1)c1ccccc1F
InChIInChI=1S/C18H17FOSe/c19-16-10-5-4-9-15(16)18(12-6-11-17(18)20)13-21-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2
InChIKeyGNHBXDUGJAMPTJ-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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Related Compounds

2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
CID 146161588
2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
CID 122215213
(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one
CID 102230862
(1-fluorocyclohexyl)methylselanylbenzene
CID 134934022
(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 171381722
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one
CID 131873383
(2S)-2-(chloromethyl)-2-(4-fluorophenyl)cyclopentan-1-one
CID 125477245
(2S)-2-[(E,2S)-2,4-diphenylbut-3-enyl]-2-(4-fluorophenyl)cyclopentan-1-one
CID 138981189
(2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one
CID 102230871
1-fluoro-2-[1-(2-fluorophenyl)cyclohexyl]benzene
CID 22420549
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one?
The IUPAC name of 2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one (CID 146161599) is 2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one?
The canonical SMILES for 2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one is O=C1CCCC1(C[Se]c1ccccc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one?
The InChIKey is GNHBXDUGJAMPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FOSe/c19-16-10-5-4-9-15(16)18(12-6-11-17(18)20)13-21-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2.
What are the key properties of 2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one?
2-(2-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-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one is sourced from PubChem (CID 146161599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).