1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene

C14H10BrFS — CID 134863111

IUPAC1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene
SMILESFC(=Cc1ccc(Br)cc1)Sc1ccccc1
InChIInChI=1S/C14H10BrFS/c15-12-8-6-11(7-9-12)10-14(16)17-13-4-2-1-3-5-13/h1-10H
InChIKeySIPPWLWUORYWIV-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.51
Rot. Bonds3

About 1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene

1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene (PubChem CID 134863111) has the molecular formula C14H10BrFS and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene
PubChem CID134863111
Molecular FormulaC14H10BrFS
Molecular Weight309.20 g/mol
Exact Mass307.97
IUPAC Name1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene
SMILESFC(=Cc1ccc(Br)cc1)Sc1ccccc1
InChIInChI=1S/C14H10BrFS/c15-12-8-6-11(7-9-12)10-14(16)17-13-4-2-1-3-5-13/h1-10H
InChIKeySIPPWLWUORYWIV-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.20
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene?
The IUPAC name of 1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene (CID 134863111) is 1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene?
The canonical SMILES for 1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene is FC(=Cc1ccc(Br)cc1)Sc1ccccc1.
What is the InChIKey of 1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene?
The InChIKey is SIPPWLWUORYWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFS/c15-12-8-6-11(7-9-12)10-14(16)17-13-4-2-1-3-5-13/h1-10H.
What are the key properties of 1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene?
1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene has a molecular weight of 309.20 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-fluoro-2-phenylsulfanylethenyl)benzene is sourced from PubChem (CID 134863111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).