1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane

C8H12F6OS — CID 139683155

IUPAC1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane
SMILESCC(C)SCCOC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H12F6OS/c1-5(2)16-4-3-15-8(13,14)6(9)7(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyGZBNTNHHEXCGTB-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.64
Rot. Bonds6

About 1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane

1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane (PubChem CID 139683155) has the molecular formula C8H12F6OS and a molecular weight of 270.24 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane
PubChem CID139683155
Molecular FormulaC8H12F6OS
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane
SMILESCC(C)SCCOC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H12F6OS/c1-5(2)16-4-3-15-8(13,14)6(9)7(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyGZBNTNHHEXCGTB-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane (CID 139683155) is 1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane is CC(C)SCCOC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane?
The InChIKey is GZBNTNHHEXCGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6OS/c1-5(2)16-4-3-15-8(13,14)6(9)7(10,11)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane?
1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane has a molecular weight of 270.24 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane is sourced from PubChem (CID 139683155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).