1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane

C6F14S — CID 12642879

IUPAC1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane
SMILESFC(F)(F)C(F)(SC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F14S/c7-1(3(9,10)11,4(12,13)14)21-2(8,5(15,16)17)6(18,19)20
InChIKeyWITFHNVTIQQIKM-UHFFFAOYSA-N
MW370.11 g/mol
LogP5.30
Rot. Bonds2

About 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane

1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane (PubChem CID 12642879) has the molecular formula C6F14S and a molecular weight of 370.11 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane
PubChem CID12642879
Molecular FormulaC6F14S
Molecular Weight370.11 g/mol
Exact Mass369.95
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane
SMILESFC(F)(F)C(F)(SC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F14S/c7-1(3(9,10)11,4(12,13)14)21-2(8,5(15,16)17)6(18,19)20
InChIKeyWITFHNVTIQQIKM-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.11
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane (CID 12642879) is 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane is FC(F)(F)C(F)(SC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane?
The InChIKey is WITFHNVTIQQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F14S/c7-1(3(9,10)11,4(12,13)14)21-2(8,5(15,16)17)6(18,19)20.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane?
1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane has a molecular weight of 370.11 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane is sourced from PubChem (CID 12642879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).