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

C11H5Br3ClFS — CID 80534504

IUPAC2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene
SMILESFc1ccc(Br)c(C(Cl)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C11H5Br3ClFS/c12-7-2-1-5(16)3-6(7)10(15)9-4-8(13)11(14)17-9/h1-4,10H
InChIKeyLDMAJBHSTNKSFQ-UHFFFAOYSA-N
MW463.39 g/mol
LogP6.50
Rot. Bonds2

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

2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene (PubChem CID 80534504) has the molecular formula C11H5Br3ClFS and a molecular weight of 463.39 g/mol. Its IUPAC name is 2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene
PubChem CID80534504
Molecular FormulaC11H5Br3ClFS
Molecular Weight463.39 g/mol
Exact Mass459.73
IUPAC Name2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene
SMILESFc1ccc(Br)c(C(Cl)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C11H5Br3ClFS/c12-7-2-1-5(16)3-6(7)10(15)9-4-8(13)11(14)17-9/h1-4,10H
InChIKeyLDMAJBHSTNKSFQ-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

2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene
CID 80534336
2,3-dibromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 80534385
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
2-bromo-5-[(2-bromo-4-fluorophenyl)-chloromethyl]-3-methylthiophene
CID 79991791
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene
CID 80538783
2,3-dibromo-5-[chloro-[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
CID 80534598
(4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 80535288
6-bromo-7-[(2-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433202
1-bromo-2-[chloro-(3,4-difluorophenyl)methyl]-4-fluorobenzene
CID 55200230
2,3-dibromo-5-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]thiophene
CID 80538747
1-bromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396203

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene (CID 80534504) is 2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene is Fc1ccc(Br)c(C(Cl)c2cc(Br)c(Br)s2)c1.
What is the InChIKey of 2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene?
The InChIKey is LDMAJBHSTNKSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3ClFS/c12-7-2-1-5(16)3-6(7)10(15)9-4-8(13)11(14)17-9/h1-4,10H.
What are the key properties of 2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene?
2,3-dibromo-5-[(2-bromo-5-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 2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene is sourced from PubChem (CID 80534504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).