1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane

C7H6F10OS — CID 163198787

IUPAC1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10OS/c1-2-19-4(9,10)3(8)18-7(16,17)5(11,12)6(13,14)15/h3H,2H2,1H3
InChIKeyQVCOOZPMHNPTHT-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.43
Rot. Bonds6

About 1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane

1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 163198787) has the molecular formula C7H6F10OS and a molecular weight of 328.17 g/mol. Its IUPAC name is 1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID163198787
Molecular FormulaC7H6F10OS
Molecular Weight328.17 g/mol
Exact Mass328.00
IUPAC Name1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10OS/c1-2-19-4(9,10)3(8)18-7(16,17)5(11,12)6(13,14)15/h3H,2H2,1H3
InChIKeyQVCOOZPMHNPTHT-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane (CID 163198787) is 1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane is CCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is QVCOOZPMHNPTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10OS/c1-2-19-4(9,10)3(8)18-7(16,17)5(11,12)6(13,14)15/h3H,2H2,1H3.
What are the key properties of 1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane?
1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 328.17 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 163198787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).