bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium

C16H18F2N2O3P+ — CID 70399051

IUPACbis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium
SMILESCN(CO[P+](=O)OCN(C)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H18F2N2O3P/c1-19(15-7-3-13(17)4-8-15)11-22-24(21)23-12-20(2)16-9-5-14(18)6-10-16/h3-10H,11-12H2,1-2H3/q+1
InChIKeyUVSKACPGLPNDKH-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.14
Rot. Bonds8

About bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium

bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium (PubChem CID 70399051) has the molecular formula C16H18F2N2O3P+ and a molecular weight of 355.30 g/mol. Its IUPAC name is bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium
PubChem CID70399051
Molecular FormulaC16H18F2N2O3P+
Molecular Weight355.30 g/mol
Exact Mass355.10
IUPAC Namebis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium
SMILESCN(CO[P+](=O)OCN(C)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H18F2N2O3P/c1-19(15-7-3-13(17)4-8-15)11-22-24(21)23-12-20(2)16-9-5-14(18)6-10-16/h3-10H,11-12H2,1-2H3/q+1
InChIKeyUVSKACPGLPNDKH-UHFFFAOYSA-N
XLogP4.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium?
The IUPAC name of bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium (CID 70399051) is bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium.
What is the SMILES notation for bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium?
The canonical SMILES for bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium is CN(CO[P+](=O)OCN(C)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium?
The InChIKey is UVSKACPGLPNDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3P/c1-19(15-7-3-13(17)4-8-15)11-22-24(21)23-12-20(2)16-9-5-14(18)6-10-16/h3-10H,11-12H2,1-2H3/q+1.
What are the key properties of bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium?
bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium has a molecular weight of 355.30 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-fluoro-N-methylanilino)methoxy]-oxophosphanium is sourced from PubChem (CID 70399051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).