2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene

C13H11BrClFS — CID 79996776

IUPAC2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
SMILESCc1cc(C(Cl)Cc2ccccc2F)sc1Br
InChIInChI=1S/C13H11BrClFS/c1-8-6-12(17-13(8)14)10(15)7-9-4-2-3-5-11(9)16/h2-6,10H,7H2,1H3
InChIKeyUKOAQMRDMZOTQU-UHFFFAOYSA-N
MW333.65 g/mol
LogP5.48
Rot. Bonds3

About 2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene

2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene (PubChem CID 79996776) has the molecular formula C13H11BrClFS and a molecular weight of 333.65 g/mol. Its IUPAC name is 2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
PubChem CID79996776
Molecular FormulaC13H11BrClFS
Molecular Weight333.65 g/mol
Exact Mass331.94
IUPAC Name2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
SMILESCc1cc(C(Cl)Cc2ccccc2F)sc1Br
InChIInChI=1S/C13H11BrClFS/c1-8-6-12(17-13(8)14)10(15)7-9-4-2-3-5-11(9)16/h2-6,10H,7H2,1H3
InChIKeyUKOAQMRDMZOTQU-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.65
LogP ≤ 55.48
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

1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 79990464
2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene
CID 55197766
2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene
CID 61082521
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
2,3-dibromo-5-[1-chloro-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534257
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
CID 79996948
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
2-bromo-5-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 79996862
2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
CID 102764734
5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
CID 65238571

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene?
The IUPAC name of 2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene (CID 79996776) is 2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene?
The canonical SMILES for 2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene is Cc1cc(C(Cl)Cc2ccccc2F)sc1Br.
What is the InChIKey of 2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene?
The InChIKey is UKOAQMRDMZOTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFS/c1-8-6-12(17-13(8)14)10(15)7-9-4-2-3-5-11(9)16/h2-6,10H,7H2,1H3.
What are the key properties of 2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene?
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene has a molecular weight of 333.65 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene is sourced from PubChem (CID 79996776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).