1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane

C6H4F10OS — CID 163198789

IUPAC1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane
SMILESCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10OS/c1-18-3(8,9)2(7)17-6(15,16)4(10,11)5(12,13)14/h2H,1H3
InChIKeyJZORSIUHYLZUKX-UHFFFAOYSA-N
MW314.14 g/mol
LogP4.04
Rot. Bonds5

About 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane

1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane (PubChem CID 163198789) has the molecular formula C6H4F10OS and a molecular weight of 314.14 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane
PubChem CID163198789
Molecular FormulaC6H4F10OS
Molecular Weight314.14 g/mol
Exact Mass313.98
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane
SMILESCSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10OS/c1-18-3(8,9)2(7)17-6(15,16)4(10,11)5(12,13)14/h2H,1H3
InChIKeyJZORSIUHYLZUKX-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane with MolForge

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Related Compounds

dehydroxy-demethylene-TFHFESE
CID 163201607
dehydroxy-TFHFESE
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1,1,2,2-Tetrafluoro-1-methylsulfanyl-3-(1,2,2-trifluoroethenoxy)propane
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1,1,1-Trifluoro-3-(2-methylsulfanylethoxy)propane
CID 104863836
1-Methoxy-2-(trifluoromethylsulfanyl)ethane
CID 118075048
1-Methylsulfanyl-2-(trifluoromethoxy)ethane
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1,1-Difluoro-2-(1-methylsulfanylethoxy)ethane
CID 131981930
1,1,1-Trifluoro-2-(1-methylsulfanylethoxy)ethane
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1,1,2-Trifluoro-1-(2-methylsulfanylethoxy)ethane
CID 139683143
1,1,1,2,3,3-Hexafluoro-3-(2-propan-2-ylsulfanylethoxy)propane
CID 139683155

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane (CID 163198789) is 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane is CSC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane?
The InChIKey is JZORSIUHYLZUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10OS/c1-18-3(8,9)2(7)17-6(15,16)4(10,11)5(12,13)14/h2H,1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane?
1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane has a molecular weight of 314.14 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane is sourced from PubChem (CID 163198789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).