1-fluoro-4-(sulfinatoamino)butane

C4H9FNO2S- — CID 91453950

IUPAC1-fluoro-4-(sulfinatoamino)butane
SMILESO=S([O-])NCCCCF
InChIInChI=1S/C4H10FNO2S/c5-3-1-2-4-6-9(7)8/h6H,1-4H2,(H,7,8)/p-1
InChIKeyYUWGIFDQUHDWIP-UHFFFAOYSA-M
MW154.19 g/mol
LogP0.12
Rot. Bonds5

About 1-fluoro-4-(sulfinatoamino)butane

1-fluoro-4-(sulfinatoamino)butane (PubChem CID 91453950) has the molecular formula C4H9FNO2S- and a molecular weight of 154.19 g/mol. Its IUPAC name is 1-fluoro-4-(sulfinatoamino)butane.

Molecular Properties

Compound Name1-fluoro-4-(sulfinatoamino)butane
PubChem CID91453950
Molecular FormulaC4H9FNO2S-
Molecular Weight154.19 g/mol
Exact Mass154.03
IUPAC Name1-fluoro-4-(sulfinatoamino)butane
SMILESO=S([O-])NCCCCF
InChIInChI=1S/C4H10FNO2S/c5-3-1-2-4-6-9(7)8/h6H,1-4H2,(H,7,8)/p-1
InChIKeyYUWGIFDQUHDWIP-UHFFFAOYSA-M
XLogP0.12
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Fluorobutylsulfamic acid
CID 20542132
N-butylsulfamoyl fluoride
CID 54427937
1-Fluoro-6-(sulfinatoamino)hexane
CID 90973735
1-Fluoro-5-(sulfinatoamino)pentane
CID 91169379
1-Fluoro-3-(sulfinatoamino)propane
CID 91582884
4-Fluorobutylsulfamic acid
CID 163287147
1-Fluoro-1-(sulfinatoamino)pentane
CID 174504933
1-Fluoro-5-(sulfinoamino)pentane
CID 91169380
1-Fluoro-4-(sulfinoamino)butane
CID 91453951
1-Fluoro-3-(sulfinoamino)propane
CID 91582885
1,1,1-Trifluoro-4-(sulfamoylamino)butane
CID 112695708
N'-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 114803954

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(sulfinatoamino)butane?
The IUPAC name of 1-fluoro-4-(sulfinatoamino)butane (CID 91453950) is 1-fluoro-4-(sulfinatoamino)butane.
What is the SMILES notation for 1-fluoro-4-(sulfinatoamino)butane?
The canonical SMILES for 1-fluoro-4-(sulfinatoamino)butane is O=S([O-])NCCCCF.
What is the InChIKey of 1-fluoro-4-(sulfinatoamino)butane?
The InChIKey is YUWGIFDQUHDWIP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10FNO2S/c5-3-1-2-4-6-9(7)8/h6H,1-4H2,(H,7,8)/p-1.
What are the key properties of 1-fluoro-4-(sulfinatoamino)butane?
1-fluoro-4-(sulfinatoamino)butane has a molecular weight of 154.19 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(sulfinatoamino)butane is sourced from PubChem (CID 91453950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).