1-[fluoro(sulfinato)amino]butane

C4H9FNO2S- — CID 174765276

IUPAC1-[fluoro(sulfinato)amino]butane
SMILESCCCCN(F)S(=O)[O-]
InChIInChI=1S/C4H10FNO2S/c1-2-3-4-6(5)9(7)8/h2-4H2,1H3,(H,7,8)/p-1
InChIKeyZZGAFCWDJUFGHI-UHFFFAOYSA-M
MW154.19 g/mol
LogP0.77
Rot. Bonds4

About 1-[fluoro(sulfinato)amino]butane

1-[fluoro(sulfinato)amino]butane (PubChem CID 174765276) has the molecular formula C4H9FNO2S- and a molecular weight of 154.19 g/mol. Its IUPAC name is 1-[fluoro(sulfinato)amino]butane.

Molecular Properties

Compound Name1-[fluoro(sulfinato)amino]butane
PubChem CID174765276
Molecular FormulaC4H9FNO2S-
Molecular Weight154.19 g/mol
Exact Mass154.03
IUPAC Name1-[fluoro(sulfinato)amino]butane
SMILESCCCCN(F)S(=O)[O-]
InChIInChI=1S/C4H10FNO2S/c1-2-3-4-6(5)9(7)8/h2-4H2,1H3,(H,7,8)/p-1
InChIKeyZZGAFCWDJUFGHI-UHFFFAOYSA-M
XLogP0.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;octane;sulfite
CID 122668940
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
tris(N-butyl-N-fluorobutan-1-amine);phosphoric acid
CID 175403911
N,N-dibutyl-2-methyltridecan-2-amine
CID 139722589
1-chloro-1-[1-chlorohexyl(sulfinato)amino]hexane
CID 23320298
N,N,5-tributylnonan-5-amine
CID 175088572
fluoro butane-1-sulfinate
CID 86758562
1-[butyl(1-hydroxyethyl)amino]ethanol;carbonic acid
CID 173031520
propane sulfite
CID 21270602
lithium octadecane-1-sulfinate
CID 23714371
sodium nonane-1-sulfinate
CID 86740195
silver dodecane-1-sulfinate
CID 86740193

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(sulfinato)amino]butane?
The IUPAC name of 1-[fluoro(sulfinato)amino]butane (CID 174765276) is 1-[fluoro(sulfinato)amino]butane.
What is the SMILES notation for 1-[fluoro(sulfinato)amino]butane?
The canonical SMILES for 1-[fluoro(sulfinato)amino]butane is CCCCN(F)S(=O)[O-].
What is the InChIKey of 1-[fluoro(sulfinato)amino]butane?
The InChIKey is ZZGAFCWDJUFGHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10FNO2S/c1-2-3-4-6(5)9(7)8/h2-4H2,1H3,(H,7,8)/p-1.
What are the key properties of 1-[fluoro(sulfinato)amino]butane?
1-[fluoro(sulfinato)amino]butane has a molecular weight of 154.19 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(sulfinato)amino]butane is sourced from PubChem (CID 174765276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).