1-fluoro-6-(sulfinoamino)hexane

C6H14FNO2S — CID 90973736

IUPAC1-fluoro-6-(sulfinoamino)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)
InChIKeyOITABQQBXYRDJY-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.24
Rot. Bonds7

About 1-fluoro-6-(sulfinoamino)hexane

1-fluoro-6-(sulfinoamino)hexane (PubChem CID 90973736) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-fluoro-6-(sulfinoamino)hexane.

Molecular Properties

Compound Name1-fluoro-6-(sulfinoamino)hexane
PubChem CID90973736
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name1-fluoro-6-(sulfinoamino)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)
InChIKeyOITABQQBXYRDJY-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.24
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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Related Compounds

Hexylsulfamic acid
CID 204300
1-Fluorohexylsulfamic acid
CID 57229371
1-Fluoropentylsulfamic acid
CID 57239543
1-Fluoroheptylsulfamic acid
CID 57274838
1-Fluoro-6-(sulfinatoamino)hexane
CID 90973735
1-Fluoro-5-(sulfinatoamino)pentane
CID 91169379
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-1-(sulfinoamino)pentane
CID 174504934
1-(Sulfinoamino)pentane
CID 19067791

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(sulfinoamino)hexane?
The IUPAC name of 1-fluoro-6-(sulfinoamino)hexane (CID 90973736) is 1-fluoro-6-(sulfinoamino)hexane.
What is the SMILES notation for 1-fluoro-6-(sulfinoamino)hexane?
The canonical SMILES for 1-fluoro-6-(sulfinoamino)hexane is O=S(O)NCCCCCCF.
What is the InChIKey of 1-fluoro-6-(sulfinoamino)hexane?
The InChIKey is OITABQQBXYRDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c7-5-3-1-2-4-6-8-11(9)10/h8H,1-6H2,(H,9,10).
What are the key properties of 1-fluoro-6-(sulfinoamino)hexane?
1-fluoro-6-(sulfinoamino)hexane has a molecular weight of 183.25 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-(sulfinoamino)hexane is sourced from PubChem (CID 90973736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).