1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane

C5H8ClF3S2 — CID 87878204

IUPAC1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane
SMILESFC(F)(F)SCCSCCCl
InChIInChI=1S/C5H8ClF3S2/c6-1-2-10-3-4-11-5(7,8)9/h1-4H2
InChIKeyAMHGPLWLJPQRQC-UHFFFAOYSA-N
MW224.70 g/mol
LogP3.21
Rot. Bonds5

About 1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane

1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane (PubChem CID 87878204) has the molecular formula C5H8ClF3S2 and a molecular weight of 224.70 g/mol. Its IUPAC name is 1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane.

Molecular Properties

Compound Name1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane
PubChem CID87878204
Molecular FormulaC5H8ClF3S2
Molecular Weight224.70 g/mol
Exact Mass223.97
IUPAC Name1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane
SMILESFC(F)(F)SCCSCCCl
InChIInChI=1S/C5H8ClF3S2/c6-1-2-10-3-4-11-5(7,8)9/h1-4H2
InChIKeyAMHGPLWLJPQRQC-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-1,1-bis(ethylsulfanyl)-2,2,2-trifluoroethane
CID 13902842
2-Chloroethyl-(3,3,3-trifluoropropyl)-(3,3,3-trifluoropropylsulfanyl)sulfanium
CID 132820623
2-(1-Chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane
CID 134832854
2-(2-Chloroethylsulfanyl)-1,1,1-trifluoroethane
CID 14836842
(2S)-2-chloro-1-ethylsulfanyl-1,1,2-trifluoroethane
CID 22796718
2-(2-Chloroethylsulfanyl)-1,1-difluoroethane
CID 54164126
2-Chloro-1-(2-chloro-2-fluoroethyl)sulfanyl-2,2-difluoroethanethiol
CID 57266141
3-Chloropropyl 3,3,3-trifluoropropyl sulfide
CID 86696794
3-Chloropropyl 4,4,4-trifluorobutyl sulphide
CID 88547152
1-(2-Chloro-2-fluoroethyl)sulfanyl-2,2,2-trifluoroethanethiol
CID 90966615
1-Chloro-1-(1-chloro-2,2-difluoroethyl)sulfanyl-2,2-difluoroethane
CID 168864788
2-Chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol
CID 173323507

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane?
The IUPAC name of 1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane (CID 87878204) is 1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane.
What is the SMILES notation for 1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane?
The canonical SMILES for 1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane is FC(F)(F)SCCSCCCl.
What is the InChIKey of 1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane?
The InChIKey is AMHGPLWLJPQRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClF3S2/c6-1-2-10-3-4-11-5(7,8)9/h1-4H2.
What are the key properties of 1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane?
1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane has a molecular weight of 224.70 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethylsulfanyl)-2-(trifluoromethylsulfanyl)ethane is sourced from PubChem (CID 87878204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).