1-(fluoromethylsulfanyl)-2-methoxyethane

C4H9FOS — CID 122581360

IUPAC1-(fluoromethylsulfanyl)-2-methoxyethane
SMILESCOCCSCF
InChIInChI=1S/C4H9FOS/c1-6-2-3-7-4-5/h2-4H2,1H3
InChIKeyNSJRGKKWBMDURN-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.29
Rot. Bonds4

About 1-(fluoromethylsulfanyl)-2-methoxyethane

1-(fluoromethylsulfanyl)-2-methoxyethane (PubChem CID 122581360) has the molecular formula C4H9FOS and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-(fluoromethylsulfanyl)-2-methoxyethane.

Molecular Properties

Compound Name1-(fluoromethylsulfanyl)-2-methoxyethane
PubChem CID122581360
Molecular FormulaC4H9FOS
Molecular Weight124.18 g/mol
Exact Mass124.04
IUPAC Name1-(fluoromethylsulfanyl)-2-methoxyethane
SMILESCOCCSCF
InChIInChI=1S/C4H9FOS/c1-6-2-3-7-4-5/h2-4H2,1H3
InChIKeyNSJRGKKWBMDURN-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(fluoromethylsulfanyl)-2-methoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethane, 1-methoxy-2-(methylthio)-
CID 4431608
2-Fluoroethyl xanthate
CID 47084
Ethane, 1-(ethylthio)-2-methoxy-
CID 143359
Ethane, ((ethoxymethyl)thio)-
CID 547812
1-Ethoxy-2-methylsulfanylethane
CID 21280230
1-Fluoroethyl ethylsulfanylformate
CID 89415264
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-Methylsulfanyl-2-(trifluoromethoxy)ethane
CID 122581361
1-(Fluoromethoxy)-2-methylsulfanylethane
CID 122581364

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfanyl)-2-methoxyethane?
The IUPAC name of 1-(fluoromethylsulfanyl)-2-methoxyethane (CID 122581360) is 1-(fluoromethylsulfanyl)-2-methoxyethane.
What is the SMILES notation for 1-(fluoromethylsulfanyl)-2-methoxyethane?
The canonical SMILES for 1-(fluoromethylsulfanyl)-2-methoxyethane is COCCSCF.
What is the InChIKey of 1-(fluoromethylsulfanyl)-2-methoxyethane?
The InChIKey is NSJRGKKWBMDURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FOS/c1-6-2-3-7-4-5/h2-4H2,1H3.
What are the key properties of 1-(fluoromethylsulfanyl)-2-methoxyethane?
1-(fluoromethylsulfanyl)-2-methoxyethane has a molecular weight of 124.18 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfanyl)-2-methoxyethane is sourced from PubChem (CID 122581360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).