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

C11H6Br2ClFS — CID 107957784

IUPAC2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene
SMILESFc1c(Br)cccc1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C11H6Br2ClFS/c12-7-3-1-2-6(11(7)15)10(14)8-4-5-9(13)16-8/h1-5,10H
InChIKeyHQPLCKSYSNXZAD-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.74
Rot. Bonds2

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

2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene (PubChem CID 107957784) has the molecular formula C11H6Br2ClFS and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene
PubChem CID107957784
Molecular FormulaC11H6Br2ClFS
Molecular Weight384.50 g/mol
Exact Mass381.82
IUPAC Name2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene
SMILESFc1c(Br)cccc1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C11H6Br2ClFS/c12-7-3-1-2-6(11(7)15)10(14)8-4-5-9(13)16-8/h1-5,10H
InChIKeyHQPLCKSYSNXZAD-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.74
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-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79757506
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
CID 107099110
2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 63435413
1-[(3-bromo-2-fluorophenyl)-chloromethyl]-2,3,4,5,6-pentamethylbenzene
CID 107955880
2-bromo-5-[chloro-(2-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 81477529
1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene
CID 106646503
1-[(3-bromo-2-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 114020868
2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene
CID 62660757
1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene
CID 107955921
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104167
6-bromo-7-[(5-bromothiophen-2-yl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 55198333
1-bromo-3-[chloro-(4-methoxyphenyl)methyl]-2-fluorobenzene
CID 114020358

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene?
The IUPAC name of 2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene (CID 107957784) is 2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene?
The canonical SMILES for 2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene is Fc1c(Br)cccc1C(Cl)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene?
The InChIKey is HQPLCKSYSNXZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFS/c12-7-3-1-2-6(11(7)15)10(14)8-4-5-9(13)16-8/h1-5,10H.
What are the key properties of 2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene?
2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene has a molecular weight of 384.50 g/mol, XLogP of 5.74, 2 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-fluorophenyl)-chloromethyl]thiophene is sourced from PubChem (CID 107957784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).