2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene

C11H5BrClF3S — CID 79757506

IUPAC2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2ccc(Br)s2)c(F)c1F
InChIInChI=1S/C11H5BrClF3S/c12-8-4-3-7(17-8)9(13)5-1-2-6(14)11(16)10(5)15/h1-4,9H
InChIKeyYSKXLGNHUDAEKT-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.26
Rot. Bonds2

About 2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene

2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene (PubChem CID 79757506) has the molecular formula C11H5BrClF3S and a molecular weight of 341.58 g/mol. Its IUPAC name is 2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
PubChem CID79757506
Molecular FormulaC11H5BrClF3S
Molecular Weight341.58 g/mol
Exact Mass339.89
IUPAC Name2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2ccc(Br)s2)c(F)c1F
InChIInChI=1S/C11H5BrClF3S/c12-8-4-3-7(17-8)9(13)5-1-2-6(14)11(16)10(5)15/h1-4,9H
InChIKeyYSKXLGNHUDAEKT-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79754690
2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 63435413
2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene
CID 107957784
(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512137
1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513386
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
CID 63432587
2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene
CID 63435018
1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103303785
2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene
CID 62660757
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
CID 107099110
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
3-[chloro-(2,3,4-trifluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 79756532

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene (CID 79757506) is 2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene is Fc1ccc(C(Cl)c2ccc(Br)s2)c(F)c1F.
What is the InChIKey of 2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene?
The InChIKey is YSKXLGNHUDAEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF3S/c12-8-4-3-7(17-8)9(13)5-1-2-6(14)11(16)10(5)15/h1-4,9H.
What are the key properties of 2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene?
2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene has a molecular weight of 341.58 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene is sourced from PubChem (CID 79757506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).