2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene

C16H10BrFS2 — CID 53330121

IUPAC2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene
SMILESFc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1
InChIInChI=1S/C16H10BrFS2/c17-16-10-9-15(20-16)14-8-7-13(19-14)6-3-11-1-4-12(18)5-2-11/h1-10H/b6-3+
InChIKeyJVKFCLZDPAFDCP-ZZXKWVIFSA-N
MW365.29 g/mol
LogP6.55
Rot. Bonds3

About 2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene

2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene (PubChem CID 53330121) has the molecular formula C16H10BrFS2 and a molecular weight of 365.29 g/mol. Its IUPAC name is 2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene
PubChem CID53330121
Molecular FormulaC16H10BrFS2
Molecular Weight365.29 g/mol
Exact Mass363.94
IUPAC Name2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene
SMILESFc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1
InChIInChI=1S/C16H10BrFS2/c17-16-10-9-15(20-16)14-8-7-13(19-14)6-3-11-1-4-12(18)5-2-11/h1-10H/b6-3+
InChIKeyJVKFCLZDPAFDCP-ZZXKWVIFSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene (CID 53330121) is 2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene is Fc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1.
What is the InChIKey of 2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene?
The InChIKey is JVKFCLZDPAFDCP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H10BrFS2/c17-16-10-9-15(20-16)14-8-7-13(19-14)6-3-11-1-4-12(18)5-2-11/h1-10H/b6-3+.
What are the key properties of 2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene?
2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene has a molecular weight of 365.29 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 53330121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).