[bis(4-methoxybutyl)amino] thiohypofluorite

C10H22FNO2S — CID 146270220

IUPAC[bis(4-methoxybutyl)amino] thiohypofluorite
SMILESCOCCCCN(CCCCOC)SF
InChIInChI=1S/C10H22FNO2S/c1-13-9-5-3-7-12(15-11)8-4-6-10-14-2/h3-10H2,1-2H3
InChIKeyOBJNDPZRPXAJEE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.67
Rot. Bonds11

About [bis(4-methoxybutyl)amino] thiohypofluorite

[bis(4-methoxybutyl)amino] thiohypofluorite (PubChem CID 146270220) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is [bis(4-methoxybutyl)amino] thiohypofluorite.

Molecular Properties

Compound Name[bis(4-methoxybutyl)amino] thiohypofluorite
PubChem CID146270220
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC Name[bis(4-methoxybutyl)amino] thiohypofluorite
SMILESCOCCCCN(CCCCOC)SF
InChIInChI=1S/C10H22FNO2S/c1-13-9-5-3-7-12(15-11)8-4-6-10-14-2/h3-10H2,1-2H3
InChIKeyOBJNDPZRPXAJEE-UHFFFAOYSA-N
XLogP2.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [bis(4-methoxybutyl)amino] thiohypofluorite?
The IUPAC name of [bis(4-methoxybutyl)amino] thiohypofluorite (CID 146270220) is [bis(4-methoxybutyl)amino] thiohypofluorite.
What is the SMILES notation for [bis(4-methoxybutyl)amino] thiohypofluorite?
The canonical SMILES for [bis(4-methoxybutyl)amino] thiohypofluorite is COCCCCN(CCCCOC)SF.
What is the InChIKey of [bis(4-methoxybutyl)amino] thiohypofluorite?
The InChIKey is OBJNDPZRPXAJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-13-9-5-3-7-12(15-11)8-4-6-10-14-2/h3-10H2,1-2H3.
What are the key properties of [bis(4-methoxybutyl)amino] thiohypofluorite?
[bis(4-methoxybutyl)amino] thiohypofluorite has a molecular weight of 239.36 g/mol, XLogP of 2.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(4-methoxybutyl)amino] thiohypofluorite is sourced from PubChem (CID 146270220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).