1-fluoro-6-(sulfinatoamino)hexane

C6H13FNO2S- — CID 90973735

IUPAC1-fluoro-6-(sulfinatoamino)hexane
SMILESO=S([O-])NCCCCCCF
InChIInChI=1S/C6H14FNO2S/c7-5-3-1-2-4-6-8-11(9)10/h8H,1-6H2,(H,9,10)/p-1
InChIKeyOITABQQBXYRDJY-UHFFFAOYSA-M
MW182.24 g/mol
LogP0.90
Rot. Bonds7

About 1-fluoro-6-(sulfinatoamino)hexane

1-fluoro-6-(sulfinatoamino)hexane (PubChem CID 90973735) has the molecular formula C6H13FNO2S- and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-fluoro-6-(sulfinatoamino)hexane.

Molecular Properties

Compound Name1-fluoro-6-(sulfinatoamino)hexane
PubChem CID90973735
Molecular FormulaC6H13FNO2S-
Molecular Weight182.24 g/mol
Exact Mass182.07
IUPAC Name1-fluoro-6-(sulfinatoamino)hexane
SMILESO=S([O-])NCCCCCCF
InChIInChI=1S/C6H14FNO2S/c7-5-3-1-2-4-6-8-11(9)10/h8H,1-6H2,(H,9,10)/p-1
InChIKeyOITABQQBXYRDJY-UHFFFAOYSA-M
XLogP0.90
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 50.90
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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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(sulfinatoamino)hexane?
The IUPAC name of 1-fluoro-6-(sulfinatoamino)hexane (CID 90973735) is 1-fluoro-6-(sulfinatoamino)hexane.
What is the SMILES notation for 1-fluoro-6-(sulfinatoamino)hexane?
The canonical SMILES for 1-fluoro-6-(sulfinatoamino)hexane is O=S([O-])NCCCCCCF.
What is the InChIKey of 1-fluoro-6-(sulfinatoamino)hexane?
The InChIKey is OITABQQBXYRDJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14FNO2S/c7-5-3-1-2-4-6-8-11(9)10/h8H,1-6H2,(H,9,10)/p-1.
What are the key properties of 1-fluoro-6-(sulfinatoamino)hexane?
1-fluoro-6-(sulfinatoamino)hexane has a molecular weight of 182.24 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-(sulfinatoamino)hexane is sourced from PubChem (CID 90973735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).