[fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite

C4H9F2O4P — CID 174274078

IUPAC[fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite
SMILESO=P(CF)(OF)OCCCO
InChIInChI=1S/C4H9F2O4P/c5-4-11(8,10-6)9-3-1-2-7/h7H,1-4H2
InChIKeyFGFHXHOVTOOMGK-UHFFFAOYSA-N
MW190.08 g/mol
LogP1.41
Rot. Bonds6

About [fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite

[fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite (PubChem CID 174274078) has the molecular formula C4H9F2O4P and a molecular weight of 190.08 g/mol. Its IUPAC name is [fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite.

Molecular Properties

Compound Name[fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite
PubChem CID174274078
Molecular FormulaC4H9F2O4P
Molecular Weight190.08 g/mol
Exact Mass190.02
IUPAC Name[fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite
SMILESO=P(CF)(OF)OCCCO
InChIInChI=1S/C4H9F2O4P/c5-4-11(8,10-6)9-3-1-2-7/h7H,1-4H2
InChIKeyFGFHXHOVTOOMGK-UHFFFAOYSA-N
XLogP1.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.08
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite?
The IUPAC name of [fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite (CID 174274078) is [fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite.
What is the SMILES notation for [fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite?
The canonical SMILES for [fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite is O=P(CF)(OF)OCCCO.
What is the InChIKey of [fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite?
The InChIKey is FGFHXHOVTOOMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2O4P/c5-4-11(8,10-6)9-3-1-2-7/h7H,1-4H2.
What are the key properties of [fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite?
[fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite has a molecular weight of 190.08 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoromethyl(3-hydroxypropoxy)phosphoryl] hypofluorite is sourced from PubChem (CID 174274078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).