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

C13H9BrClF3S — CID 63435106

IUPAC2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene
SMILESFC(F)(F)c1ccc(CC(Cl)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H9BrClF3S/c14-12-6-5-11(19-12)10(15)7-8-1-3-9(4-2-8)13(16,17)18/h1-6,10H,7H2
InChIKeyLQGJPKPWIDOZID-UHFFFAOYSA-N
MW369.63 g/mol
LogP6.05
Rot. Bonds3

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

2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene (PubChem CID 63435106) has the molecular formula C13H9BrClF3S and a molecular weight of 369.63 g/mol. Its IUPAC name is 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene
PubChem CID63435106
Molecular FormulaC13H9BrClF3S
Molecular Weight369.63 g/mol
Exact Mass367.92
IUPAC Name2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene
SMILESFC(F)(F)c1ccc(CC(Cl)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H9BrClF3S/c14-12-6-5-11(19-12)10(15)7-8-1-3-9(4-2-8)13(16,17)18/h1-6,10H,7H2
InChIKeyLQGJPKPWIDOZID-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 56.05
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-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62116122
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
CID 79996948
1-bromo-3-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-5-fluorobenzene
CID 63542506
4-bromo-2-chloro-1-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 63543034
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 80535664
1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63543380
2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
CID 103310676
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102829532
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine
CID 61079625
5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-chloro-3-methylthiophene
CID 102764977

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene?
The IUPAC name of 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene (CID 63435106) is 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene.
What is the SMILES notation for 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene?
The canonical SMILES for 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene is FC(F)(F)c1ccc(CC(Cl)c2ccc(Br)s2)cc1.
What is the InChIKey of 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene?
The InChIKey is LQGJPKPWIDOZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF3S/c14-12-6-5-11(19-12)10(15)7-8-1-3-9(4-2-8)13(16,17)18/h1-6,10H,7H2.
What are the key properties of 2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene?
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene has a molecular weight of 369.63 g/mol, XLogP of 6.05, 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]thiophene is sourced from PubChem (CID 63435106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).