[(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene

C16H15FS — CID 15156796

IUPAC[(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene
SMILESF/C(=C\CCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H15FS/c17-16(18-15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,7,10H2/b16-13+
InChIKeyJVTODHXBOQIUMS-DTQAZKPQSA-N
MW258.36 g/mol
LogP5.22
Rot. Bonds5

About [(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene

[(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene (PubChem CID 15156796) has the molecular formula C16H15FS and a molecular weight of 258.36 g/mol. Its IUPAC name is [(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene
PubChem CID15156796
Molecular FormulaC16H15FS
Molecular Weight258.36 g/mol
Exact Mass258.09
IUPAC Name[(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene
SMILESF/C(=C\CCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H15FS/c17-16(18-15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,7,10H2/b16-13+
InChIKeyJVTODHXBOQIUMS-DTQAZKPQSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene?
The IUPAC name of [(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene (CID 15156796) is [(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene is F/C(=C\CCc1ccccc1)Sc1ccccc1.
What is the InChIKey of [(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene?
The InChIKey is JVTODHXBOQIUMS-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H15FS/c17-16(18-15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,7,10H2/b16-13+.
What are the key properties of [(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene?
[(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene has a molecular weight of 258.36 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene is sourced from PubChem (CID 15156796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).