1,1-difluoro-2-(1-methylsulfanylethoxy)ethane

C5H10F2OS — CID 131981930

IUPAC1,1-difluoro-2-(1-methylsulfanylethoxy)ethane
SMILESCSC(C)OCC(F)F
InChIInChI=1S/C5H10F2OS/c1-4(9-2)8-3-5(6)7/h4-5H,3H2,1-2H3
InChIKeySUKCJGGSZDRXCU-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.98
Rot. Bonds4

About 1,1-difluoro-2-(1-methylsulfanylethoxy)ethane

1,1-difluoro-2-(1-methylsulfanylethoxy)ethane (PubChem CID 131981930) has the molecular formula C5H10F2OS and a molecular weight of 156.20 g/mol. Its IUPAC name is 1,1-difluoro-2-(1-methylsulfanylethoxy)ethane.

Molecular Properties

Compound Name1,1-difluoro-2-(1-methylsulfanylethoxy)ethane
PubChem CID131981930
Molecular FormulaC5H10F2OS
Molecular Weight156.20 g/mol
Exact Mass156.04
IUPAC Name1,1-difluoro-2-(1-methylsulfanylethoxy)ethane
SMILESCSC(C)OCC(F)F
InChIInChI=1S/C5H10F2OS/c1-4(9-2)8-3-5(6)7/h4-5H,3H2,1-2H3
InChIKeySUKCJGGSZDRXCU-UHFFFAOYSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-Difluoroethoxy)ethane-1-thiol
CID 82010156
1-(2-Ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
CID 163198787
1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane
CID 163198789
S-[2-(2,2,2-trifluoroethoxy)ethyl] ethanethioate
CID 22033232
1,1,1-Trifluoro-3-(2-methylsulfanylethoxy)propane
CID 104863836
1-Methoxy-2-(trifluoromethylsulfanyl)ethane
CID 118075048
1-(Difluoromethoxy)-2-methylsulfanylethane
CID 122581351
(Difluoromethyl)(2-methoxyethyl)sulfane
CID 122581357
1-(Fluoromethylsulfanyl)-2-methoxyethane
CID 122581360
1-Methylsulfanyl-2-(trifluoromethoxy)ethane
CID 122581361
1-(Fluoromethoxy)-2-methylsulfanylethane
CID 122581364
2-[2-(Trifluoromethoxy)ethylsulfanyl]propane
CID 132011842

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(1-methylsulfanylethoxy)ethane?
The IUPAC name of 1,1-difluoro-2-(1-methylsulfanylethoxy)ethane (CID 131981930) is 1,1-difluoro-2-(1-methylsulfanylethoxy)ethane.
What is the SMILES notation for 1,1-difluoro-2-(1-methylsulfanylethoxy)ethane?
The canonical SMILES for 1,1-difluoro-2-(1-methylsulfanylethoxy)ethane is CSC(C)OCC(F)F.
What is the InChIKey of 1,1-difluoro-2-(1-methylsulfanylethoxy)ethane?
The InChIKey is SUKCJGGSZDRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2OS/c1-4(9-2)8-3-5(6)7/h4-5H,3H2,1-2H3.
What are the key properties of 1,1-difluoro-2-(1-methylsulfanylethoxy)ethane?
1,1-difluoro-2-(1-methylsulfanylethoxy)ethane has a molecular weight of 156.20 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(1-methylsulfanylethoxy)ethane is sourced from PubChem (CID 131981930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).