[cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite

C7H9F2O3P — CID 91487687

IUPAC[cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite
SMILESO=P(CC1=CCC=CC1)(OF)OF
InChIInChI=1S/C7H9F2O3P/c8-11-13(10,12-9)6-7-4-2-1-3-5-7/h1-2,5H,3-4,6H2
InChIKeyXPQLFQBBYPOMBN-UHFFFAOYSA-N
MW210.12 g/mol
LogP3.26
Rot. Bonds4

About [cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite

[cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite (PubChem CID 91487687) has the molecular formula C7H9F2O3P and a molecular weight of 210.12 g/mol. Its IUPAC name is [cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite.

Molecular Properties

Compound Name[cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite
PubChem CID91487687
Molecular FormulaC7H9F2O3P
Molecular Weight210.12 g/mol
Exact Mass210.03
IUPAC Name[cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite
SMILESO=P(CC1=CCC=CC1)(OF)OF
InChIInChI=1S/C7H9F2O3P/c8-11-13(10,12-9)6-7-4-2-1-3-5-7/h1-2,5H,3-4,6H2
InChIKeyXPQLFQBBYPOMBN-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methylene(phenyl)phosphinic acid
CID 129723581
[Cyclohexa-1,3-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite
CID 173223032
Cyclohexa-1,5-dien-1-ylmethylphosphonic acid
CID 54160522
Cyclohexa-1,4-dien-1-ylmethylphosphonic acid
CID 57228292
(6-Methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid
CID 69017474
Cyclohexa-1,5-dien-1-ylmethyl-hydroxy-oxophosphanium
CID 145642484

Frequently Asked Questions

What is the IUPAC name of [cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite?
The IUPAC name of [cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite (CID 91487687) is [cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite.
What is the SMILES notation for [cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite?
The canonical SMILES for [cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite is O=P(CC1=CCC=CC1)(OF)OF.
What is the InChIKey of [cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite?
The InChIKey is XPQLFQBBYPOMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2O3P/c8-11-13(10,12-9)6-7-4-2-1-3-5-7/h1-2,5H,3-4,6H2.
What are the key properties of [cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite?
[cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite has a molecular weight of 210.12 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexa-1,4-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite is sourced from PubChem (CID 91487687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).