1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene

C8H4Cl3F3S — CID 4197116

IUPAC1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene
SMILESFC(Cl)C(F)(F)Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H4Cl3F3S/c9-5-2-1-4(3-6(5)10)15-8(13,14)7(11)12/h1-3,7H
InChIKeyYJQFKBCDQOQJGU-UHFFFAOYSA-N
MW295.54 g/mol
LogP5.21
Rot. Bonds3

About 1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene

1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene (PubChem CID 4197116) has the molecular formula C8H4Cl3F3S and a molecular weight of 295.54 g/mol. Its IUPAC name is 1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene
PubChem CID4197116
Molecular FormulaC8H4Cl3F3S
Molecular Weight295.54 g/mol
Exact Mass293.91
IUPAC Name1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene
SMILESFC(Cl)C(F)(F)Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H4Cl3F3S/c9-5-2-1-4(3-6(5)10)15-8(13,14)7(11)12/h1-3,7H
InChIKeyYJQFKBCDQOQJGU-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.54
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene?
The IUPAC name of 1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene (CID 4197116) is 1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene.
What is the SMILES notation for 1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene?
The canonical SMILES for 1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene is FC(Cl)C(F)(F)Sc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene?
The InChIKey is YJQFKBCDQOQJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3F3S/c9-5-2-1-4(3-6(5)10)15-8(13,14)7(11)12/h1-3,7H.
What are the key properties of 1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene?
1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene has a molecular weight of 295.54 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfanylbenzene is sourced from PubChem (CID 4197116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).