1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene

C8H5Cl2F3S — CID 154256493

IUPAC1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene
SMILESFC(F)(F)CSc1cccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl2F3S/c9-5-2-1-3-6(7(5)10)14-4-8(11,12)13/h1-3H,4H2
InChIKeyOHLZPJMJJFSABP-UHFFFAOYSA-N
MW261.09 g/mol
LogP4.65
Rot. Bonds2

About 1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene

1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene (PubChem CID 154256493) has the molecular formula C8H5Cl2F3S and a molecular weight of 261.09 g/mol. Its IUPAC name is 1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene
PubChem CID154256493
Molecular FormulaC8H5Cl2F3S
Molecular Weight261.09 g/mol
Exact Mass259.94
IUPAC Name1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene
SMILESFC(F)(F)CSc1cccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl2F3S/c9-5-2-1-3-6(7(5)10)14-4-8(11,12)13/h1-3H,4H2
InChIKeyOHLZPJMJJFSABP-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene?
The IUPAC name of 1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene (CID 154256493) is 1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene is FC(F)(F)CSc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene?
The InChIKey is OHLZPJMJJFSABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3S/c9-5-2-1-3-6(7(5)10)14-4-8(11,12)13/h1-3H,4H2.
What are the key properties of 1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene?
1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene has a molecular weight of 261.09 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(2,2,2-trifluoroethylsulfanyl)benzene is sourced from PubChem (CID 154256493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).