bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane

C13H12F2NO2P — CID 101464521

IUPACbis(4-fluorophenoxy)-imino-methyl-λ5-phosphane
SMILES[H]N=P(C)(Oc1ccc(F)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C13H12F2NO2P/c1-19(16,17-12-6-2-10(14)3-7-12)18-13-8-4-11(15)5-9-13/h2-9,16H,1H3
InChIKeyYUTPATSDMJVSIU-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.66
Rot. Bonds4

About bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane

bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane (PubChem CID 101464521) has the molecular formula C13H12F2NO2P and a molecular weight of 283.21 g/mol. Its IUPAC name is bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane.

Molecular Properties

Compound Namebis(4-fluorophenoxy)-imino-methyl-λ5-phosphane
PubChem CID101464521
Molecular FormulaC13H12F2NO2P
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Namebis(4-fluorophenoxy)-imino-methyl-λ5-phosphane
SMILES[H]N=P(C)(Oc1ccc(F)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C13H12F2NO2P/c1-19(16,17-12-6-2-10(14)3-7-12)18-13-8-4-11(15)5-9-13/h2-9,16H,1H3
InChIKeyYUTPATSDMJVSIU-UHFFFAOYSA-N
XLogP4.66
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane?
The IUPAC name of bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane (CID 101464521) is bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane.
What is the SMILES notation for bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane?
The canonical SMILES for bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane is [H]N=P(C)(Oc1ccc(F)cc1)Oc1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane?
The InChIKey is YUTPATSDMJVSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2NO2P/c1-19(16,17-12-6-2-10(14)3-7-12)18-13-8-4-11(15)5-9-13/h2-9,16H,1H3.
What are the key properties of bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane?
bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane has a molecular weight of 283.21 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane is sourced from PubChem (CID 101464521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).