1-fluoro-3-(2-phenylethynylselanyl)benzene

C14H9FSe — CID 134946611

IUPAC1-fluoro-3-(2-phenylethynylselanyl)benzene
SMILESFc1cccc([Se]C#Cc2ccccc2)c1
InChIInChI=1S/C14H9FSe/c15-13-7-4-8-14(11-13)16-10-9-12-5-2-1-3-6-12/h1-8,11H
InChIKeyIHUBEOSXIQFNDP-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.16
Rot. Bonds1

About 1-fluoro-3-(2-phenylethynylselanyl)benzene

1-fluoro-3-(2-phenylethynylselanyl)benzene (PubChem CID 134946611) has the molecular formula C14H9FSe and a molecular weight of 275.18 g/mol. Its IUPAC name is 1-fluoro-3-(2-phenylethynylselanyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-(2-phenylethynylselanyl)benzene
PubChem CID134946611
Molecular FormulaC14H9FSe
Molecular Weight275.18 g/mol
Exact Mass275.99
IUPAC Name1-fluoro-3-(2-phenylethynylselanyl)benzene
SMILESFc1cccc([Se]C#Cc2ccccc2)c1
InChIInChI=1S/C14H9FSe/c15-13-7-4-8-14(11-13)16-10-9-12-5-2-1-3-6-12/h1-8,11H
InChIKeyIHUBEOSXIQFNDP-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-fluorophenyl)selanylmagnesium(1+) bromide
CID 139240716
2-[2-(3-fluorophenyl)ethynyl]benzoic acid
CID 101430061
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
4-[2-(3-fluorophenyl)ethynyl]benzoic acid
CID 23533987
1-[2-(3-fluorophenyl)ethynyl]naphthalene
CID 171990074
[2,6-difluoro-4-(2-phenylethynyl)phenyl] thiocyanate
CID 126684326
1-(2-phenylselanylethynyl)naphthalene
CID 11522394
2-(2-phenylethynyl)azulene
CID 139039957
1-fluoro-3-(3-fluoroprop-1-ynyl)benzene
CID 91874936
3-fluorobenzonitrile;hydrochloride
CID 140590350
(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone
CID 68993545
2-phenylethynylbenzene;hydrofluoride
CID 158259923

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-phenylethynylselanyl)benzene?
The IUPAC name of 1-fluoro-3-(2-phenylethynylselanyl)benzene (CID 134946611) is 1-fluoro-3-(2-phenylethynylselanyl)benzene.
What is the SMILES notation for 1-fluoro-3-(2-phenylethynylselanyl)benzene?
The canonical SMILES for 1-fluoro-3-(2-phenylethynylselanyl)benzene is Fc1cccc([Se]C#Cc2ccccc2)c1.
What is the InChIKey of 1-fluoro-3-(2-phenylethynylselanyl)benzene?
The InChIKey is IHUBEOSXIQFNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FSe/c15-13-7-4-8-14(11-13)16-10-9-12-5-2-1-3-6-12/h1-8,11H.
What are the key properties of 1-fluoro-3-(2-phenylethynylselanyl)benzene?
1-fluoro-3-(2-phenylethynylselanyl)benzene has a molecular weight of 275.18 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(2-phenylethynylselanyl)benzene is sourced from PubChem (CID 134946611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).