2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene

C6H4ClF3S2 — CID 134833025

IUPAC2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene
SMILESFC(F)(F)C(Cl)Sc1cccs1
InChIInChI=1S/C6H4ClF3S2/c7-5(6(8,9)10)12-4-2-1-3-11-4/h1-3,5H
InChIKeyKQEWHFROUJFTLA-UHFFFAOYSA-N
MW232.68 g/mol
LogP3.97
Rot. Bonds2

About 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene

2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene (PubChem CID 134833025) has the molecular formula C6H4ClF3S2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene.

Molecular Properties

Compound Name2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene
PubChem CID134833025
Molecular FormulaC6H4ClF3S2
Molecular Weight232.68 g/mol
Exact Mass231.94
IUPAC Name2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene
SMILESFC(F)(F)C(Cl)Sc1cccs1
InChIInChI=1S/C6H4ClF3S2/c7-5(6(8,9)10)12-4-2-1-3-11-4/h1-3,5H
InChIKeyKQEWHFROUJFTLA-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene?
The IUPAC name of 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene (CID 134833025) is 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene.
What is the SMILES notation for 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene?
The canonical SMILES for 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene is FC(F)(F)C(Cl)Sc1cccs1.
What is the InChIKey of 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene?
The InChIKey is KQEWHFROUJFTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3S2/c7-5(6(8,9)10)12-4-2-1-3-11-4/h1-3,5H.
What are the key properties of 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene?
2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene has a molecular weight of 232.68 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylthiophene is sourced from PubChem (CID 134833025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).