2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane

C4H2Cl2F6S — CID 56633385

IUPAC2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane
SMILESFC(Cl)C(F)(F)SC(F)(F)C(F)Cl
InChIInChI=1S/C4H2Cl2F6S/c5-1(7)3(9,10)13-4(11,12)2(6)8/h1-2H
InChIKeyRLINKEUEFWLTOP-UHFFFAOYSA-N
MW267.02 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane

2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane (PubChem CID 56633385) has the molecular formula C4H2Cl2F6S and a molecular weight of 267.02 g/mol. Its IUPAC name is 2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane.

Molecular Properties

Compound Name2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane
PubChem CID56633385
Molecular FormulaC4H2Cl2F6S
Molecular Weight267.02 g/mol
Exact Mass265.92
IUPAC Name2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane
SMILESFC(Cl)C(F)(F)SC(F)(F)C(F)Cl
InChIInChI=1S/C4H2Cl2F6S/c5-1(7)3(9,10)13-4(11,12)2(6)8/h1-2H
InChIKeyRLINKEUEFWLTOP-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.02
LogP ≤ 53.97
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 2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane?
The IUPAC name of 2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane (CID 56633385) is 2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane.
What is the SMILES notation for 2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane?
The canonical SMILES for 2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane is FC(Cl)C(F)(F)SC(F)(F)C(F)Cl.
What is the InChIKey of 2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane?
The InChIKey is RLINKEUEFWLTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2F6S/c5-1(7)3(9,10)13-4(11,12)2(6)8/h1-2H.
What are the key properties of 2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane?
2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane has a molecular weight of 267.02 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1,1,2-trifluoroethane is sourced from PubChem (CID 56633385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).