[(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene

C14H11FSSe — CID 134932276

IUPAC[(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene
SMILESF/C=C(/Sc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C14H11FSSe/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKeyNHHIKXBHOSRUKJ-KAMYIIQDSA-N
MW309.27 g/mol
LogP3.58
Rot. Bonds4

About [(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene

[(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene (PubChem CID 134932276) has the molecular formula C14H11FSSe and a molecular weight of 309.27 g/mol. Its IUPAC name is [(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene
PubChem CID134932276
Molecular FormulaC14H11FSSe
Molecular Weight309.27 g/mol
Exact Mass309.97
IUPAC Name[(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene
SMILESF/C=C(/Sc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C14H11FSSe/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKeyNHHIKXBHOSRUKJ-KAMYIIQDSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 53.58
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 [(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene?
The IUPAC name of [(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene (CID 134932276) is [(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene?
The canonical SMILES for [(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene is F/C=C(/Sc1ccccc1)[Se]c1ccccc1.
What is the InChIKey of [(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene?
The InChIKey is NHHIKXBHOSRUKJ-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H11FSSe/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-11H/b14-11-.
What are the key properties of [(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene?
[(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene has a molecular weight of 309.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene is sourced from PubChem (CID 134932276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).