5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene

C16H20BrClS2 — CID 11246319

IUPAC5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene
SMILESCCCCCCCCc1cc(Br)sc1-c1ccc(Cl)s1
InChIInChI=1S/C16H20BrClS2/c1-2-3-4-5-6-7-8-12-11-14(17)20-16(12)13-9-10-15(18)19-13/h9-11H,2-8H2,1H3
InChIKeyFGFQZXKQEGONIH-UHFFFAOYSA-N
MW391.83 g/mol
LogP7.80
Rot. Bonds8

About 5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene

5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene (PubChem CID 11246319) has the molecular formula C16H20BrClS2 and a molecular weight of 391.83 g/mol. Its IUPAC name is 5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene.

Molecular Properties

Compound Name5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene
PubChem CID11246319
Molecular FormulaC16H20BrClS2
Molecular Weight391.83 g/mol
Exact Mass389.99
IUPAC Name5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene
SMILESCCCCCCCCc1cc(Br)sc1-c1ccc(Cl)s1
InChIInChI=1S/C16H20BrClS2/c1-2-3-4-5-6-7-8-12-11-14(17)20-16(12)13-9-10-15(18)19-13/h9-11H,2-8H2,1H3
InChIKeyFGFQZXKQEGONIH-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.83
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene
CID 46850584
2,2'-Dibromo-3,3'-bis(n-tetradecyl)-5,5'-bithiophene
CID 67025022
5,5'-Dibromo-4,4'-didodecyl-2,2'-bithiophene
CID 21917267
2-(5-Chlorothiophen-2-yl)-5-cyclohexylthiophene
CID 184754
3-Bromo-(2-chloro-5-thienyl)benzene
CID 83665088
5,5'-Dibromo-4,4'-dihexyl-2,2'-bithiophene
CID 11953640
5,5'-Dibromo-3,3'-dimethyl-2,2'-bithiophene
CID 14896126
5,5'-Dibromo-3,3'-dihexyl-2,2'-bithiophene
CID 15185062
5'-Bromo-3,4'-dihexyl-2,2'-bithiophene
CID 15268467
5,5'-Dibromo-4,4'-dimethyl-2,2'-bithiophene
CID 21727448
2-Bromo-3-methyl-5-(3-methylthiophen-2-yl)thiophene
CID 89943790
2-Chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene
CID 134861597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene?
The IUPAC name of 5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene (CID 11246319) is 5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene.
What is the SMILES notation for 5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene?
The canonical SMILES for 5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene is CCCCCCCCc1cc(Br)sc1-c1ccc(Cl)s1.
What is the InChIKey of 5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene?
The InChIKey is FGFQZXKQEGONIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClS2/c1-2-3-4-5-6-7-8-12-11-14(17)20-16(12)13-9-10-15(18)19-13/h9-11H,2-8H2,1H3.
What are the key properties of 5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene?
5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene has a molecular weight of 391.83 g/mol, XLogP of 7.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chlorothiophen-2-yl)-3-octylthiophene is sourced from PubChem (CID 11246319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).