1-fluoro-2-[methyl(sulfino)amino]ethane

C3H8FNO2S — CID 150765968

IUPAC1-fluoro-2-[methyl(sulfino)amino]ethane
SMILESCN(CCF)S(=O)O
InChIInChI=1S/C3H8FNO2S/c1-5(3-2-4)8(6)7/h2-3H2,1H3,(H,6,7)
InChIKeyRVSDGAQWIPJYKL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.02
Rot. Bonds3

About 1-fluoro-2-[methyl(sulfino)amino]ethane

1-fluoro-2-[methyl(sulfino)amino]ethane (PubChem CID 150765968) has the molecular formula C3H8FNO2S and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-fluoro-2-[methyl(sulfino)amino]ethane.

Molecular Properties

Compound Name1-fluoro-2-[methyl(sulfino)amino]ethane
PubChem CID150765968
Molecular FormulaC3H8FNO2S
Molecular Weight141.17 g/mol
Exact Mass141.03
IUPAC Name1-fluoro-2-[methyl(sulfino)amino]ethane
SMILESCN(CCF)S(=O)O
InChIInChI=1S/C3H8FNO2S/c1-5(3-2-4)8(6)7/h2-3H2,1H3,(H,6,7)
InChIKeyRVSDGAQWIPJYKL-UHFFFAOYSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[methyl(sulfino)amino]ethane?
The IUPAC name of 1-fluoro-2-[methyl(sulfino)amino]ethane (CID 150765968) is 1-fluoro-2-[methyl(sulfino)amino]ethane.
What is the SMILES notation for 1-fluoro-2-[methyl(sulfino)amino]ethane?
The canonical SMILES for 1-fluoro-2-[methyl(sulfino)amino]ethane is CN(CCF)S(=O)O.
What is the InChIKey of 1-fluoro-2-[methyl(sulfino)amino]ethane?
The InChIKey is RVSDGAQWIPJYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO2S/c1-5(3-2-4)8(6)7/h2-3H2,1H3,(H,6,7).
What are the key properties of 1-fluoro-2-[methyl(sulfino)amino]ethane?
1-fluoro-2-[methyl(sulfino)amino]ethane has a molecular weight of 141.17 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[methyl(sulfino)amino]ethane is sourced from PubChem (CID 150765968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).