2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene

C14H11BrClF3S — CID 79996948

IUPAC2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
SMILESCc1cc(C(Cl)Cc2ccc(C(F)(F)F)cc2)sc1Br
InChIInChI=1S/C14H11BrClF3S/c1-8-6-12(20-13(8)15)11(16)7-9-2-4-10(5-3-9)14(17,18)19/h2-6,11H,7H2,1H3
InChIKeyUGJJHENWCPOGDM-UHFFFAOYSA-N
MW383.66 g/mol
LogP6.36
Rot. Bonds3

About 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene

2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene (PubChem CID 79996948) has the molecular formula C14H11BrClF3S and a molecular weight of 383.66 g/mol. Its IUPAC name is 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
PubChem CID79996948
Molecular FormulaC14H11BrClF3S
Molecular Weight383.66 g/mol
Exact Mass381.94
IUPAC Name2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
SMILESCc1cc(C(Cl)Cc2ccc(C(F)(F)F)cc2)sc1Br
InChIInChI=1S/C14H11BrClF3S/c1-8-6-12(20-13(8)15)11(16)7-9-2-4-10(5-3-9)14(17,18)19/h2-6,11H,7H2,1H3
InChIKeyUGJJHENWCPOGDM-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene
CID 63435106
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 79992170
5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-chloro-3-methylthiophene
CID 102764977
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 80535664
4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 63543034
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102829532
2-bromo-3-chloro-5-[1-chloro-2-(4-chlorophenyl)ethyl]thiophene
CID 80533733
1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-3-methylbenzene
CID 81480727
4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
CID 80538308
4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine
CID 66461194

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene?
The IUPAC name of 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene (CID 79996948) is 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene?
The canonical SMILES for 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene is Cc1cc(C(Cl)Cc2ccc(C(F)(F)F)cc2)sc1Br.
What is the InChIKey of 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene?
The InChIKey is UGJJHENWCPOGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF3S/c1-8-6-12(20-13(8)15)11(16)7-9-2-4-10(5-3-9)14(17,18)19/h2-6,11H,7H2,1H3.
What are the key properties of 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene?
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene has a molecular weight of 383.66 g/mol, XLogP of 6.36, 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-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene is sourced from PubChem (CID 79996948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).