2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene

C11H7Br2FS — CID 63439478

IUPAC2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Br)c2ccc(Br)s2)cc1
InChIInChI=1S/C11H7Br2FS/c12-10-6-5-9(15-10)11(13)7-1-3-8(14)4-2-7/h1-6,11H
InChIKeyYUEAHNDHXSZHEK-UHFFFAOYSA-N
MW350.05 g/mol
LogP5.13
Rot. Bonds2

About 2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene

2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene (PubChem CID 63439478) has the molecular formula C11H7Br2FS and a molecular weight of 350.05 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene
PubChem CID63439478
Molecular FormulaC11H7Br2FS
Molecular Weight350.05 g/mol
Exact Mass347.86
IUPAC Name2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Br)c2ccc(Br)s2)cc1
InChIInChI=1S/C11H7Br2FS/c12-10-6-5-9(15-10)11(13)7-1-3-8(14)4-2-7/h1-6,11H
InChIKeyYUEAHNDHXSZHEK-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.05
LogP ≤ 55.13
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-[bromo-(2-bromo-5-fluorophenyl)methyl]thiophene
CID 63444372
2-bromo-5-[bromo-(4-phenoxyphenyl)methyl]thiophene
CID 63437888
2-bromo-5-[bromo-(3,5-dimethylphenyl)methyl]thiophene
CID 63444428
1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 61080789
7-[bromo-(5-bromothiophen-2-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61095893
2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene
CID 61098417
[1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105222035
(5-bromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 43464242
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 61063795
5-[bromo-(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294466
2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
CID 103310733

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene (CID 63439478) is 2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene is Fc1ccc(C(Br)c2ccc(Br)s2)cc1.
What is the InChIKey of 2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene?
The InChIKey is YUEAHNDHXSZHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FS/c12-10-6-5-9(15-10)11(13)7-1-3-8(14)4-2-7/h1-6,11H.
What are the key properties of 2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene?
2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene has a molecular weight of 350.05 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 63439478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).