2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene

C11H6Br2ClFS — CID 114560642

IUPAC2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene
SMILESFc1cccc(Br)c1C(Br)c1ccc(Cl)s1
InChIInChI=1S/C11H6Br2ClFS/c12-6-2-1-3-7(15)10(6)11(13)8-4-5-9(14)16-8/h1-5,11H
InChIKeyAELUXELXBFEROX-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.79
Rot. Bonds2

About 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene

2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene (PubChem CID 114560642) has the molecular formula C11H6Br2ClFS and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene.

Molecular Properties

Compound Name2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene
PubChem CID114560642
Molecular FormulaC11H6Br2ClFS
Molecular Weight384.50 g/mol
Exact Mass381.82
IUPAC Name2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene
SMILESFc1cccc(Br)c1C(Br)c1ccc(Cl)s1
InChIInChI=1S/C11H6Br2ClFS/c12-6-2-1-3-7(15)10(6)11(13)8-4-5-9(14)16-8/h1-5,11H
InChIKeyAELUXELXBFEROX-UHFFFAOYSA-N
XLogP5.79
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 ≤ 55.79
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-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 114558836
2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
CID 114560717
2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene
CID 114560719
1-[(S)-(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175769
2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-chlorothiophene
CID 63441250
(3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 106944889
2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene
CID 63441429
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
2-[bromo-(3-bromo-5-fluorophenyl)methyl]-5-chlorothiophene
CID 63441337
(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65434580
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 114560632
(5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol
CID 62661789

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene?
The IUPAC name of 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene (CID 114560642) is 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene.
What is the SMILES notation for 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene?
The canonical SMILES for 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene is Fc1cccc(Br)c1C(Br)c1ccc(Cl)s1.
What is the InChIKey of 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene?
The InChIKey is AELUXELXBFEROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFS/c12-6-2-1-3-7(15)10(6)11(13)8-4-5-9(14)16-8/h1-5,11H.
What are the key properties of 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene?
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene has a molecular weight of 384.50 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene is sourced from PubChem (CID 114560642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).