1-fluoro-2-(sulfinoamino)ethane

C2H6FNO2S — CID 90749594

IUPAC1-fluoro-2-(sulfinoamino)ethane
SMILESO=S(O)NCCF
InChIInChI=1S/C2H6FNO2S/c3-1-2-4-7(5)6/h4H,1-2H2,(H,5,6)
InChIKeyDGRRLJWNJQVLIS-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.32
Rot. Bonds3

About 1-fluoro-2-(sulfinoamino)ethane

1-fluoro-2-(sulfinoamino)ethane (PubChem CID 90749594) has the molecular formula C2H6FNO2S and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-fluoro-2-(sulfinoamino)ethane.

Molecular Properties

Compound Name1-fluoro-2-(sulfinoamino)ethane
PubChem CID90749594
Molecular FormulaC2H6FNO2S
Molecular Weight127.14 g/mol
Exact Mass127.01
IUPAC Name1-fluoro-2-(sulfinoamino)ethane
SMILESO=S(O)NCCF
InChIInChI=1S/C2H6FNO2S/c3-1-2-4-7(5)6/h4H,1-2H2,(H,5,6)
InChIKeyDGRRLJWNJQVLIS-UHFFFAOYSA-N
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-2-(sulfinoamino)ethane 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

3,3,3-Trifluoropropylsulfamic acid
CID 17804131
1-Fluoropropylsulfamic acid
CID 20542120
2-Fluoroethylsulfamic acid
CID 20542143
1,1,1-Trifluoro-2-(sulfinoamino)ethane
CID 23192793
1-Fluoroethylsulfamic acid
CID 57123348
2,2-Difluoroethylsulfamic acid
CID 86632792
1-Fluoro-2-(sulfinatoamino)ethane
CID 90749593
1-Fluoro-3-(sulfinatoamino)propane
CID 91582884
1,1-Difluoro-2-(hydroxysulfonothioylamino)ethane
CID 166819670
1,1,1-Trifluoro-3-(sulfinoamino)propane
CID 17933132
1-Fluoro-4-(sulfinoamino)butane
CID 91453951
1-Fluoro-3-(sulfinoamino)propane
CID 91582885

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(sulfinoamino)ethane?
The IUPAC name of 1-fluoro-2-(sulfinoamino)ethane (CID 90749594) is 1-fluoro-2-(sulfinoamino)ethane.
What is the SMILES notation for 1-fluoro-2-(sulfinoamino)ethane?
The canonical SMILES for 1-fluoro-2-(sulfinoamino)ethane is O=S(O)NCCF.
What is the InChIKey of 1-fluoro-2-(sulfinoamino)ethane?
The InChIKey is DGRRLJWNJQVLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6FNO2S/c3-1-2-4-7(5)6/h4H,1-2H2,(H,5,6).
What are the key properties of 1-fluoro-2-(sulfinoamino)ethane?
1-fluoro-2-(sulfinoamino)ethane has a molecular weight of 127.14 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(sulfinoamino)ethane is sourced from PubChem (CID 90749594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).