2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene

C11H5Br3ClFS — CID 55198340

IUPAC2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene
SMILESFc1ccc(C(Cl)c2cc(Br)sc2Br)c(Br)c1
InChIInChI=1S/C11H5Br3ClFS/c12-8-3-5(16)1-2-6(8)10(15)7-4-9(13)17-11(7)14/h1-4,10H
InChIKeyBRKAOMDYJOVCSL-UHFFFAOYSA-N
MW463.39 g/mol
LogP6.50
Rot. Bonds2

About 2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene

2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene (PubChem CID 55198340) has the molecular formula C11H5Br3ClFS and a molecular weight of 463.39 g/mol. Its IUPAC name is 2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene
PubChem CID55198340
Molecular FormulaC11H5Br3ClFS
Molecular Weight463.39 g/mol
Exact Mass459.73
IUPAC Name2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene
SMILESFc1ccc(C(Cl)c2cc(Br)sc2Br)c(Br)c1
InChIInChI=1S/C11H5Br3ClFS/c12-8-3-5(16)1-2-6(8)10(15)7-4-9(13)17-11(7)14/h1-4,10H
InChIKeyBRKAOMDYJOVCSL-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 56.50
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-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 61082422
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433476
2-bromo-5-[(2-bromo-4-fluorophenyl)-chloromethyl]-3-methylthiophene
CID 79991791
2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene
CID 80538783
2,5-dibromo-3-[chloro-(2-ethoxyphenyl)methyl]thiophene
CID 55198913
2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene
CID 63796992
2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene
CID 107965047
1-(2-chloro-4-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 43486940
(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 113400075
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81051365
2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene
CID 80534504
2,5-dibromo-3-[chloro-(4-chloro-2-methoxyphenyl)methyl]thiophene
CID 55197955

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene (CID 55198340) is 2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene is Fc1ccc(C(Cl)c2cc(Br)sc2Br)c(Br)c1.
What is the InChIKey of 2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene?
The InChIKey is BRKAOMDYJOVCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3ClFS/c12-8-3-5(16)1-2-6(8)10(15)7-4-9(13)17-11(7)14/h1-4,10H.
What are the key properties of 2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene?
2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene has a molecular weight of 463.39 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene is sourced from PubChem (CID 55198340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).