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

C5H9F3OS — CID 139683143

IUPAC1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane
SMILESCSCCOC(F)(F)CF
InChIInChI=1S/C5H9F3OS/c1-10-3-2-9-5(7,8)4-6/h2-4H2,1H3
InChIKeyZGPNQBTVRYTZPO-UHFFFAOYSA-N
MW174.19 g/mol
LogP1.93
Rot. Bonds5

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

1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane (PubChem CID 139683143) has the molecular formula C5H9F3OS and a molecular weight of 174.19 g/mol. Its IUPAC name is 1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane.

Molecular Properties

Compound Name1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane
PubChem CID139683143
Molecular FormulaC5H9F3OS
Molecular Weight174.19 g/mol
Exact Mass174.03
IUPAC Name1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane
SMILESCSCCOC(F)(F)CF
InChIInChI=1S/C5H9F3OS/c1-10-3-2-9-5(7,8)4-6/h2-4H2,1H3
InChIKeyZGPNQBTVRYTZPO-UHFFFAOYSA-N
XLogP1.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.93
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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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
1,1-Difluoro-2-(1-methylsulfanylethoxy)ethane
CID 131981930

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane?
The IUPAC name of 1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane (CID 139683143) is 1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane.
What is the SMILES notation for 1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane?
The canonical SMILES for 1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane is CSCCOC(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane?
The InChIKey is ZGPNQBTVRYTZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3OS/c1-10-3-2-9-5(7,8)4-6/h2-4H2,1H3.
What are the key properties of 1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane?
1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane has a molecular weight of 174.19 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-1-(2-methylsulfanylethoxy)ethane is sourced from PubChem (CID 139683143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).