2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene

C11H6Br2ClFS — CID 80534336

IUPAC2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C11H6Br2ClFS/c12-8-5-9(16-11(8)13)10(14)6-1-3-7(15)4-2-6/h1-5,10H
InChIKeyDMTVFZNTTFYCLU-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.74
Rot. Bonds2

About 2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene

2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene (PubChem CID 80534336) has the molecular formula C11H6Br2ClFS and a molecular weight of 384.50 g/mol. Its IUPAC name is 2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene
PubChem CID80534336
Molecular FormulaC11H6Br2ClFS
Molecular Weight384.50 g/mol
Exact Mass381.82
IUPAC Name2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C11H6Br2ClFS/c12-8-5-9(16-11(8)13)10(14)6-1-3-7(15)4-2-6/h1-5,10H
InChIKeyDMTVFZNTTFYCLU-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

2,3-dibromo-5-[chloro-(4-propan-2-ylphenyl)methyl]thiophene
CID 80534087
2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene
CID 80534504
2,3-dibromo-5-[chloro-(3-fluoro-4-methylphenyl)methyl]thiophene
CID 80534421
2,3-dibromo-5-[chloro-(4-methoxyphenyl)methyl]thiophene
CID 80534130
2,3-dibromo-5-[chloro-[4-(trifluoromethoxy)phenyl]methyl]thiophene
CID 116629181
2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene
CID 115354369
2,3-dibromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 80534385
3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836567
7-[chloro-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 80538873
2,3-dibromo-5-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538718
2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene
CID 80538783
3-bromo-5-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-methylthiophene
CID 107959212

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene (CID 80534336) is 2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene is Fc1ccc(C(Cl)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene?
The InChIKey is DMTVFZNTTFYCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFS/c12-8-5-9(16-11(8)13)10(14)6-1-3-7(15)4-2-6/h1-5,10H.
What are the key properties of 2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene?
2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]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 2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 80534336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).