2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene

C11H6BrCl2FS — CID 63435413

IUPAC2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
SMILESFc1ccc(Cl)cc1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C11H6BrCl2FS/c12-10-4-3-9(16-10)11(14)7-5-6(13)1-2-8(7)15/h1-5,11H
InChIKeyRJEYADDLBVQIPA-UHFFFAOYSA-N
MW340.04 g/mol
LogP5.63
Rot. Bonds2

About 2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene

2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene (PubChem CID 63435413) has the molecular formula C11H6BrCl2FS and a molecular weight of 340.04 g/mol. Its IUPAC name is 2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
PubChem CID63435413
Molecular FormulaC11H6BrCl2FS
Molecular Weight340.04 g/mol
Exact Mass337.87
IUPAC Name2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
SMILESFc1ccc(Cl)cc1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C11H6BrCl2FS/c12-10-4-3-9(16-10)11(14)7-5-6(13)1-2-8(7)15/h1-5,11H
InChIKeyRJEYADDLBVQIPA-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.04
LogP ≤ 55.63
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
2,3-dibromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 80534385
2-[chloro-(5-chloro-2-fluorophenyl)methyl]-5-ethylthiophene
CID 63430815
2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene
CID 63435018
2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene
CID 107957784
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
CID 63432587
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617
(5-bromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 43464242
(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104169
(2-bromo-4-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107987471
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
CID 107099110
6-bromo-7-[(5-bromothiophen-2-yl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 55198333

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene (CID 63435413) is 2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene is Fc1ccc(Cl)cc1C(Cl)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene?
The InChIKey is RJEYADDLBVQIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2FS/c12-10-4-3-9(16-10)11(14)7-5-6(13)1-2-8(7)15/h1-5,11H.
What are the key properties of 2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene?
2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene has a molecular weight of 340.04 g/mol, XLogP of 5.63, 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-(5-chloro-2-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 63435413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).