azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid

C9H24FNO6S — CID 88778349

IUPACazane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid
SMILESCC(C)(F)OCCCCCCO.N.O=S(=O)(O)O
InChIInChI=1S/C9H19FO2.H3N.H2O4S/c1-9(2,10)12-8-6-4-3-5-7-11;;1-5(2,3)4/h11H,3-8H2,1-2H3;1H3;(H2,1,2,3,4)
InChIKeyBQPRANCXEPIOCB-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.77
Rot. Bonds7

About azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid

azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid (PubChem CID 88778349) has the molecular formula C9H24FNO6S and a molecular weight of 293.36 g/mol. Its IUPAC name is azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid.

Molecular Properties

Compound Nameazane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid
PubChem CID88778349
Molecular FormulaC9H24FNO6S
Molecular Weight293.36 g/mol
Exact Mass293.13
IUPAC Nameazane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid
SMILESCC(C)(F)OCCCCCCO.N.O=S(=O)(O)O
InChIInChI=1S/C9H19FO2.H3N.H2O4S/c1-9(2,10)12-8-6-4-3-5-7-11;;1-5(2,3)4/h11H,3-8H2,1-2H3;1H3;(H2,1,2,3,4)
InChIKeyBQPRANCXEPIOCB-UHFFFAOYSA-N
XLogP1.77
TPSA139.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid?
The IUPAC name of azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid (CID 88778349) is azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid.
What is the SMILES notation for azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid?
The canonical SMILES for azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid is CC(C)(F)OCCCCCCO.N.O=S(=O)(O)O.
What is the InChIKey of azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid?
The InChIKey is BQPRANCXEPIOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO2.H3N.H2O4S/c1-9(2,10)12-8-6-4-3-5-7-11;;1-5(2,3)4/h11H,3-8H2,1-2H3;1H3;(H2,1,2,3,4).
What are the key properties of azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid?
azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid has a molecular weight of 293.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid is sourced from PubChem (CID 88778349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).