2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene

C13H11Br2FS — CID 79454843

IUPAC2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
SMILESFc1ccccc1C(CBr)Cc1ccc(Br)s1
InChIInChI=1S/C13H11Br2FS/c14-8-9(7-10-5-6-13(15)17-10)11-3-1-2-4-12(11)16/h1-6,9H,7-8H2
InChIKeyORMXWDYLUJHLCY-UHFFFAOYSA-N
MW378.10 g/mol
LogP5.37
Rot. Bonds4

About 2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene

2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene (PubChem CID 79454843) has the molecular formula C13H11Br2FS and a molecular weight of 378.10 g/mol. Its IUPAC name is 2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
PubChem CID79454843
Molecular FormulaC13H11Br2FS
Molecular Weight378.10 g/mol
Exact Mass375.89
IUPAC Name2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
SMILESFc1ccccc1C(CBr)Cc1ccc(Br)s1
InChIInChI=1S/C13H11Br2FS/c14-8-9(7-10-5-6-13(15)17-10)11-3-1-2-4-12(11)16/h1-6,9H,7-8H2
InChIKeyORMXWDYLUJHLCY-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.10
LogP ≤ 55.37
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-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454073
2-bromo-5-(3-bromo-2-phenylpropyl)thiophene
CID 66043259
1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
CID 79454466
[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206828
2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene
CID 79454547
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 112632402
[2-(5-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105295770

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene?
The IUPAC name of 2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene (CID 79454843) is 2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene.
What is the SMILES notation for 2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene?
The canonical SMILES for 2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene is Fc1ccccc1C(CBr)Cc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene?
The InChIKey is ORMXWDYLUJHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FS/c14-8-9(7-10-5-6-13(15)17-10)11-3-1-2-4-12(11)16/h1-6,9H,7-8H2.
What are the key properties of 2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene?
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene has a molecular weight of 378.10 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene is sourced from PubChem (CID 79454843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).