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

C13H11Br2FS — CID 79454073

IUPAC4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
SMILESFc1ccccc1C(CBr)Cc1cc(Br)cs1
InChIInChI=1S/C13H11Br2FS/c14-7-9(5-11-6-10(15)8-17-11)12-3-1-2-4-13(12)16/h1-4,6,8-9H,5,7H2
InChIKeyZSVXHLJXFSLLTN-UHFFFAOYSA-N
MW378.10 g/mol
LogP5.37
Rot. Bonds4

About 4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene

4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene (PubChem CID 79454073) has the molecular formula C13H11Br2FS and a molecular weight of 378.10 g/mol. Its IUPAC name is 4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene.

Molecular Properties

Compound Name4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
PubChem CID79454073
Molecular FormulaC13H11Br2FS
Molecular Weight378.10 g/mol
Exact Mass375.89
IUPAC Name4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
SMILESFc1ccccc1C(CBr)Cc1cc(Br)cs1
InChIInChI=1S/C13H11Br2FS/c14-7-9(5-11-6-10(15)8-17-11)12-3-1-2-4-13(12)16/h1-4,6,8-9H,5,7H2
InChIKeyZSVXHLJXFSLLTN-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-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 115790217
1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
CID 79454466
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997103
(4-bromothiophen-2-yl)methyl-triphenylphosphanium
CID 87300474
1-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]-4-methoxybenzene
CID 79454075
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115790170

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene?
The IUPAC name of 4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene (CID 79454073) is 4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene.
What is the SMILES notation for 4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene?
The canonical SMILES for 4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene is Fc1ccccc1C(CBr)Cc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene?
The InChIKey is ZSVXHLJXFSLLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FS/c14-7-9(5-11-6-10(15)8-17-11)12-3-1-2-4-13(12)16/h1-4,6,8-9H,5,7H2.
What are the key properties of 4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene?
4-bromo-2-[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 4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene is sourced from PubChem (CID 79454073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).