2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene

C8H8ClF3S — CID 61082727

IUPAC2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
SMILESCCc1ccc(C(Cl)C(F)(F)F)s1
InChIInChI=1S/C8H8ClF3S/c1-2-5-3-4-6(13-5)7(9)8(10,11)12/h3-4,7H,2H2,1H3
InChIKeyOSXUXEPNWAUDSZ-UHFFFAOYSA-N
MW228.67 g/mol
LogP4.15
Rot. Bonds2

About 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene

2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene (PubChem CID 61082727) has the molecular formula C8H8ClF3S and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene.

Molecular Properties

Compound Name2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
PubChem CID61082727
Molecular FormulaC8H8ClF3S
Molecular Weight228.67 g/mol
Exact Mass228.00
IUPAC Name2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
SMILESCCc1ccc(C(Cl)C(F)(F)F)s1
InChIInChI=1S/C8H8ClF3S/c1-2-5-3-4-6(13-5)7(9)8(10,11)12/h3-4,7H,2H2,1H3
InChIKeyOSXUXEPNWAUDSZ-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene 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-(1-chloro-2,2-dimethylpropyl)-5-ethylthiophene
CID 63430858
1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 61101723
2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene
CID 103310684
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 61100350
2-[chloro-(4-fluorophenyl)methyl]-5-ethylthiophene
CID 63431184
2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
CID 63431036
2-(1-chloro-2-methylpentyl)-5-ethylthiophene
CID 63431274
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 62345929
2-[chloro-(5-chloro-2-fluorophenyl)methyl]-5-ethylthiophene
CID 63430815
2,5-diethylthiophene
CID 521294
2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
CID 61082733
2-(1-chloro-2-phenylethyl)-5-ethylthiophene
CID 63430993

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene?
The IUPAC name of 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene (CID 61082727) is 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene.
What is the SMILES notation for 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene?
The canonical SMILES for 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene is CCc1ccc(C(Cl)C(F)(F)F)s1.
What is the InChIKey of 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene?
The InChIKey is OSXUXEPNWAUDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3S/c1-2-5-3-4-6(13-5)7(9)8(10,11)12/h3-4,7H,2H2,1H3.
What are the key properties of 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene?
2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene has a molecular weight of 228.67 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene is sourced from PubChem (CID 61082727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).