1-fluoro-2-(sulfinatoamino)ethane

C2H5FNO2S- — CID 90749593

IUPAC1-fluoro-2-(sulfinatoamino)ethane
SMILESO=S([O-])NCCF
InChIInChI=1S/C2H6FNO2S/c3-1-2-4-7(5)6/h4H,1-2H2,(H,5,6)/p-1
InChIKeyDGRRLJWNJQVLIS-UHFFFAOYSA-M
MW126.13 g/mol
LogP-0.66
Rot. Bonds3

About 1-fluoro-2-(sulfinatoamino)ethane

1-fluoro-2-(sulfinatoamino)ethane (PubChem CID 90749593) has the molecular formula C2H5FNO2S- and a molecular weight of 126.13 g/mol. Its IUPAC name is 1-fluoro-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1-fluoro-2-(sulfinatoamino)ethane
PubChem CID90749593
Molecular FormulaC2H5FNO2S-
Molecular Weight126.13 g/mol
Exact Mass126.00
IUPAC Name1-fluoro-2-(sulfinatoamino)ethane
SMILESO=S([O-])NCCF
InChIInChI=1S/C2H6FNO2S/c3-1-2-4-7(5)6/h4H,1-2H2,(H,5,6)/p-1
InChIKeyDGRRLJWNJQVLIS-UHFFFAOYSA-M
XLogP-0.66
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-3-(sulfinatoamino)propane
CID 17933131
n-Ethylsulfonamide
CID 19013208
2-Fluoroethylsulfamic acid
CID 20542143
N-(2,2-difluoroethyl)sulfamate
CID 86632791
1-Fluoro-3-(sulfinatoamino)propane
CID 91582884
1-Fluoro-2-(sulfamoylamino)ethane
CID 126973648
N-(2-fluoroethyl)sulfamoyl chloride
CID 55279347
1-Fluoro-2-(sulfinoamino)ethane
CID 90749594

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(sulfinatoamino)ethane?
The IUPAC name of 1-fluoro-2-(sulfinatoamino)ethane (CID 90749593) is 1-fluoro-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1-fluoro-2-(sulfinatoamino)ethane?
The canonical SMILES for 1-fluoro-2-(sulfinatoamino)ethane is O=S([O-])NCCF.
What is the InChIKey of 1-fluoro-2-(sulfinatoamino)ethane?
The InChIKey is DGRRLJWNJQVLIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6FNO2S/c3-1-2-4-7(5)6/h4H,1-2H2,(H,5,6)/p-1.
What are the key properties of 1-fluoro-2-(sulfinatoamino)ethane?
1-fluoro-2-(sulfinatoamino)ethane has a molecular weight of 126.13 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(sulfinatoamino)ethane is sourced from PubChem (CID 90749593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).