2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene

C12H8Br2ClFS — CID 55197766

IUPAC2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene
SMILESFc1ccccc1CC(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C12H8Br2ClFS/c13-11-6-8(12(14)17-11)9(15)5-7-3-1-2-4-10(7)16/h1-4,6,9H,5H2
InChIKeyVQSXBTYUXYMFBH-UHFFFAOYSA-N
MW398.52 g/mol
LogP5.93
Rot. Bonds3

About 2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene

2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene (PubChem CID 55197766) has the molecular formula C12H8Br2ClFS and a molecular weight of 398.52 g/mol. Its IUPAC name is 2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene
PubChem CID55197766
Molecular FormulaC12H8Br2ClFS
Molecular Weight398.52 g/mol
Exact Mass395.84
IUPAC Name2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene
SMILESFc1ccccc1CC(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C12H8Br2ClFS/c13-11-6-8(12(14)17-11)9(15)5-7-3-1-2-4-10(7)16/h1-4,6,9H,5H2
InChIKeyVQSXBTYUXYMFBH-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.52
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776
4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
CID 63544049
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
2,5-dibromo-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 55197767
2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene
CID 61082521
2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 114022310
4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene
CID 115370094
2,3-dibromo-5-[1-chloro-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534257
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 43345053
4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
CID 63018718
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene (CID 55197766) is 2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene is Fc1ccccc1CC(Cl)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene?
The InChIKey is VQSXBTYUXYMFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClFS/c13-11-6-8(12(14)17-11)9(15)5-7-3-1-2-4-10(7)16/h1-4,6,9H,5H2.
What are the key properties of 2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene?
2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene has a molecular weight of 398.52 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene is sourced from PubChem (CID 55197766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).