1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene

C14H11FS — CID 42631886

IUPAC1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene
SMILESFc1ccc(/C=C/Sc2ccccc2)cc1
InChIInChI=1S/C14H11FS/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-11H/b11-10+
InChIKeyLLBQGLZFPPSHJW-ZHACJKMWSA-N
MW230.31 g/mol
LogP4.59
Rot. Bonds3

About 1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene

1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene (PubChem CID 42631886) has the molecular formula C14H11FS and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene
PubChem CID42631886
Molecular FormulaC14H11FS
Molecular Weight230.31 g/mol
Exact Mass230.06
IUPAC Name1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene
SMILESFc1ccc(/C=C/Sc2ccccc2)cc1
InChIInChI=1S/C14H11FS/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-11H/b11-10+
InChIKeyLLBQGLZFPPSHJW-ZHACJKMWSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene (CID 42631886) is 1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene is Fc1ccc(/C=C/Sc2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene?
The InChIKey is LLBQGLZFPPSHJW-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H11FS/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-11H/b11-10+.
What are the key properties of 1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene?
1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene has a molecular weight of 230.31 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-2-phenylsulfanylethenyl]benzene is sourced from PubChem (CID 42631886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).