[4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite

C8H19FNO3P — CID 142959678

IUPAC[4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite
SMILESCC(CCN(C)C)OCP(C)(=O)OF
InChIInChI=1S/C8H19FNO3P/c1-8(5-6-10(2)3)12-7-14(4,11)13-9/h8H,5-7H2,1-4H3
InChIKeyGYTAONRASIVVDK-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.11
Rot. Bonds7

About [4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite

[4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite (PubChem CID 142959678) has the molecular formula C8H19FNO3P and a molecular weight of 227.22 g/mol. Its IUPAC name is [4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite.

Molecular Properties

Compound Name[4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite
PubChem CID142959678
Molecular FormulaC8H19FNO3P
Molecular Weight227.22 g/mol
Exact Mass227.11
IUPAC Name[4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite
SMILESCC(CCN(C)C)OCP(C)(=O)OF
InChIInChI=1S/C8H19FNO3P/c1-8(5-6-10(2)3)12-7-14(4,11)13-9/h8H,5-7H2,1-4H3
InChIKeyGYTAONRASIVVDK-UHFFFAOYSA-N
XLogP2.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite?
The IUPAC name of [4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite (CID 142959678) is [4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite.
What is the SMILES notation for [4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite?
The canonical SMILES for [4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite is CC(CCN(C)C)OCP(C)(=O)OF.
What is the InChIKey of [4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite?
The InChIKey is GYTAONRASIVVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FNO3P/c1-8(5-6-10(2)3)12-7-14(4,11)13-9/h8H,5-7H2,1-4H3.
What are the key properties of [4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite?
[4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite has a molecular weight of 227.22 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)butan-2-yloxymethyl-methylphosphoryl] hypofluorite is sourced from PubChem (CID 142959678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).