1-(difluoromethylsulfanyl)-2-methoxyethane

C4H8F2OS — CID 122581357

IUPAC1-(difluoromethylsulfanyl)-2-methoxyethane
SMILESCOCCSC(F)F
InChIInChI=1S/C4H8F2OS/c1-7-2-3-8-4(5)6/h4H,2-3H2,1H3
InChIKeyIPHIHWRASGDWLI-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.59
Rot. Bonds4

About 1-(difluoromethylsulfanyl)-2-methoxyethane

1-(difluoromethylsulfanyl)-2-methoxyethane (PubChem CID 122581357) has the molecular formula C4H8F2OS and a molecular weight of 142.17 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)-2-methoxyethane.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)-2-methoxyethane
PubChem CID122581357
Molecular FormulaC4H8F2OS
Molecular Weight142.17 g/mol
Exact Mass142.03
IUPAC Name1-(difluoromethylsulfanyl)-2-methoxyethane
SMILESCOCCSC(F)F
InChIInChI=1S/C4H8F2OS/c1-7-2-3-8-4(5)6/h4H,2-3H2,1H3
InChIKeyIPHIHWRASGDWLI-UHFFFAOYSA-N
XLogP1.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.59
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-Fluoroethyl xanthate
CID 47084
O-ethyl 1,2,2,2-tetrafluoroethylsulfanylmethanethioate
CID 138971696
1,1,1-Trifluoro-3-(2-methylsulfanylethoxy)propane
CID 104863836
1-Methoxy-2-(trifluoromethylsulfanyl)ethane
CID 118075048
1-(Difluoromethoxy)-2-methylsulfanylethane
CID 122581351
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
2-[2-(Trifluoromethoxy)ethylsulfanyl]propane
CID 132011842
1,1,1-Trifluoro-2-(1-methylsulfanylethoxy)ethane
CID 139323234
1-(Difluoromethoxy)-3-methylsulfanylbutane
CID 139527725

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)-2-methoxyethane?
The IUPAC name of 1-(difluoromethylsulfanyl)-2-methoxyethane (CID 122581357) is 1-(difluoromethylsulfanyl)-2-methoxyethane.
What is the SMILES notation for 1-(difluoromethylsulfanyl)-2-methoxyethane?
The canonical SMILES for 1-(difluoromethylsulfanyl)-2-methoxyethane is COCCSC(F)F.
What is the InChIKey of 1-(difluoromethylsulfanyl)-2-methoxyethane?
The InChIKey is IPHIHWRASGDWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2OS/c1-7-2-3-8-4(5)6/h4H,2-3H2,1H3.
What are the key properties of 1-(difluoromethylsulfanyl)-2-methoxyethane?
1-(difluoromethylsulfanyl)-2-methoxyethane has a molecular weight of 142.17 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)-2-methoxyethane is sourced from PubChem (CID 122581357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).