1-fluoro-4-(sulfinoamino)butane

C4H10FNO2S — CID 91453951

IUPAC1-fluoro-4-(sulfinoamino)butane
SMILESO=S(O)NCCCCF
InChIInChI=1S/C4H10FNO2S/c5-3-1-2-4-6-9(7)8/h6H,1-4H2,(H,7,8)
InChIKeyYUWGIFDQUHDWIP-UHFFFAOYSA-N
MW155.19 g/mol
LogP0.46
Rot. Bonds5

About 1-fluoro-4-(sulfinoamino)butane

1-fluoro-4-(sulfinoamino)butane (PubChem CID 91453951) has the molecular formula C4H10FNO2S and a molecular weight of 155.19 g/mol. Its IUPAC name is 1-fluoro-4-(sulfinoamino)butane.

Molecular Properties

Compound Name1-fluoro-4-(sulfinoamino)butane
PubChem CID91453951
Molecular FormulaC4H10FNO2S
Molecular Weight155.19 g/mol
Exact Mass155.04
IUPAC Name1-fluoro-4-(sulfinoamino)butane
SMILESO=S(O)NCCCCF
InChIInChI=1S/C4H10FNO2S/c5-3-1-2-4-6-9(7)8/h6H,1-4H2,(H,7,8)
InChIKeyYUWGIFDQUHDWIP-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(sulfinoamino)butane?
The IUPAC name of 1-fluoro-4-(sulfinoamino)butane (CID 91453951) is 1-fluoro-4-(sulfinoamino)butane.
What is the SMILES notation for 1-fluoro-4-(sulfinoamino)butane?
The canonical SMILES for 1-fluoro-4-(sulfinoamino)butane is O=S(O)NCCCCF.
What is the InChIKey of 1-fluoro-4-(sulfinoamino)butane?
The InChIKey is YUWGIFDQUHDWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S/c5-3-1-2-4-6-9(7)8/h6H,1-4H2,(H,7,8).
What are the key properties of 1-fluoro-4-(sulfinoamino)butane?
1-fluoro-4-(sulfinoamino)butane has a molecular weight of 155.19 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(sulfinoamino)butane is sourced from PubChem (CID 91453951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).