2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene

C11H6BrCl2FS — CID 80533672

IUPAC2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene
SMILESFc1cccc(C(Cl)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C11H6BrCl2FS/c12-11-8(13)5-9(16-11)10(14)6-2-1-3-7(15)4-6/h1-5,10H
InChIKeyYHYOHTJPWKGCIB-UHFFFAOYSA-N
MW340.04 g/mol
LogP5.63
Rot. Bonds2

About 2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene

2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene (PubChem CID 80533672) has the molecular formula C11H6BrCl2FS and a molecular weight of 340.04 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene
PubChem CID80533672
Molecular FormulaC11H6BrCl2FS
Molecular Weight340.04 g/mol
Exact Mass337.87
IUPAC Name2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene
SMILESFc1cccc(C(Cl)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C11H6BrCl2FS/c12-11-8(13)5-9(16-11)10(14)6-2-1-3-7(15)4-6/h1-5,10H
InChIKeyYHYOHTJPWKGCIB-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-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene
CID 80533678
2-bromo-3-chloro-5-[chloro-(3,4-dimethylphenyl)methyl]thiophene
CID 80533320
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 80532302
2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene
CID 61082525
2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene
CID 80533282
2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
CID 80533343
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 80531073
2,5-dichloro-3-[chloro-(3-fluorophenyl)methyl]thiophene
CID 63436522
2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene
CID 80534336
2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene
CID 82816642
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
CID 80533517

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene?
The IUPAC name of 2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene (CID 80533672) is 2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene is Fc1cccc(C(Cl)c2cc(Cl)c(Br)s2)c1.
What is the InChIKey of 2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene?
The InChIKey is YHYOHTJPWKGCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2FS/c12-11-8(13)5-9(16-11)10(14)6-2-1-3-7(15)4-6/h1-5,10H.
What are the key properties of 2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene?
2-bromo-3-chloro-5-[chloro-(3-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-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 80533672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).