1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane

C4H4F6S — CID 87070773

IUPAC1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane
SMILESFC(F)(F)CSCC(F)(F)F
InChIInChI=1S/C4H4F6S/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2
InChIKeyDKEVYFYCRUGDEN-UHFFFAOYSA-N
MW198.13 g/mol
LogP2.84
Rot. Bonds2

About 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane

1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane (PubChem CID 87070773) has the molecular formula C4H4F6S and a molecular weight of 198.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane
PubChem CID87070773
Molecular FormulaC4H4F6S
Molecular Weight198.13 g/mol
Exact Mass197.99
IUPAC Name1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane
SMILESFC(F)(F)CSCC(F)(F)F
InChIInChI=1S/C4H4F6S/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2
InChIKeyDKEVYFYCRUGDEN-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl hexafluoroisopropyl sulfide
CID 12567442
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfanyl)propane
CID 134968095
2-(Ethylthio)-1,1,1-trifluoroethane
CID 6432510
2-Monofluoroethyl sulfide
CID 54111079
1,1,1-Trifluoro-3-(3,3,3-trifluoropropylsulfanyl)propane
CID 87128471
Tetrafluoropropyl sulfide
CID 87155176
2-Ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 12772020
1-Fluoro-2-(trifluoromethylsulfanyl)propane
CID 13708908
1,1,1,3-Tetrafluoro-2-(trifluoromethylsulfanyl)propane
CID 13708909
Difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-lambda4-sulfane
CID 134881858
Ethyl-1,1,2,3,3,3-hexafluoropropylsulfide
CID 533752
Wtdvlbzomoclls-uhfffaoysa-
CID 13101898

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane (CID 87070773) is 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane is FC(F)(F)CSCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane?
The InChIKey is DKEVYFYCRUGDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6S/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2.
What are the key properties of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane?
1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane has a molecular weight of 198.13 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyl)ethane is sourced from PubChem (CID 87070773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).