1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane

C6H7F7S — CID 13101898

IUPAC1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane
SMILESCC(F)(F)C(F)SC(F)(F)C(C)(F)F
InChIInChI=1S/C6H7F7S/c1-4(8,9)3(7)14-6(12,13)5(2,10)11/h3H,1-2H3
InChIKeyWTDVLBZOMOCLLS-UHFFFAOYSA-N
MW244.17 g/mol
LogP3.92
Rot. Bonds4

About 1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane

1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane (PubChem CID 13101898) has the molecular formula C6H7F7S and a molecular weight of 244.17 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane
PubChem CID13101898
Molecular FormulaC6H7F7S
Molecular Weight244.17 g/mol
Exact Mass244.02
IUPAC Name1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane
SMILESCC(F)(F)C(F)SC(F)(F)C(C)(F)F
InChIInChI=1S/C6H7F7S/c1-4(8,9)3(7)14-6(12,13)5(2,10)11/h3H,1-2H3
InChIKeyWTDVLBZOMOCLLS-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-Bis-ethylsulfanyl-1,1,1,2,2-pentafluoro-propane
CID 10400060
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
1,1,1-Trifluoro-3-(3,3,3-trifluoropropylsulfanyl)propane
CID 87128471
Tetrafluoropropyl sulfide
CID 87155176
4,4,4-Trifluorobutyl methyl sulfide
CID 89333965
Butane, 1-[(trifluoromethyl)thio]-
CID 544786
Trifluoromethyl isopropyl sulfide
CID 588919

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane?
The IUPAC name of 1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane (CID 13101898) is 1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane?
The canonical SMILES for 1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane is CC(F)(F)C(F)SC(F)(F)C(C)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane?
The InChIKey is WTDVLBZOMOCLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7S/c1-4(8,9)3(7)14-6(12,13)5(2,10)11/h3H,1-2H3.
What are the key properties of 1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane?
1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane has a molecular weight of 244.17 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-1-(1,2,2-trifluoropropylsulfanyl)propane is sourced from PubChem (CID 13101898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).