2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

C6H5F9S — CID 12772020

IUPAC2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESCCSC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9S/c1-2-16-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyUKWNZFAUZWDFRW-UHFFFAOYSA-N
MW280.16 g/mol
LogP4.17
Rot. Bonds2

About 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (PubChem CID 12772020) has the molecular formula C6H5F9S and a molecular weight of 280.16 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
PubChem CID12772020
Molecular FormulaC6H5F9S
Molecular Weight280.16 g/mol
Exact Mass280.00
IUPAC Name2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESCCSC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9S/c1-2-16-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyUKWNZFAUZWDFRW-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl hexafluoroisopropyl sulfide
CID 12567442
2-Ethylthiopentafluoropropylene
CID 12567445
Methyl 2,2-bis(trifluoromethyl)-3,3,3-trifluoropropyl sulfide
CID 13152330
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfanyl)propane
CID 134968095
2-(Ethylthio)-1,1,1-trifluoroethane
CID 6432510
Trifluoroethyl sulfide
CID 87070773
Tetrafluoropropyl sulfide
CID 87155176
Trifluoromethyl isopropyl sulfide
CID 588919
2-Fluoro-1-(trifluoromethylsulfanyl)propane
CID 13708907
1-Fluoro-2-(trifluoromethylsulfanyl)propane
CID 13708908
2,2,2',2'-Tetrafluorodipropyl sulfide
CID 129670314
Ethyl-1,1,2,3,3,3-hexafluoropropylsulfide
CID 533752

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CID 12772020) is 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.
What is the SMILES notation for 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The canonical SMILES for 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is CCSC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The InChIKey is UKWNZFAUZWDFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9S/c1-2-16-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3.
What are the key properties of 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane has a molecular weight of 280.16 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 12772020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).