[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene

C13H21FO5P2 — CID 10449767

IUPAC[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
SMILESCCOP(=O)(OCC)[C@@H](F)[P@@](=O)(OCC)c1ccccc1
InChIInChI=1S/C13H21FO5P2/c1-4-17-20(15,12-10-8-7-9-11-12)13(14)21(16,18-5-2)19-6-3/h7-11,13H,4-6H2,1-3H3/t13-,20-/m0/s1
InChIKeyRWFQKNGBEUIECF-RBZFPXEDSA-N
MW338.25 g/mol
LogP4.15
Rot. Bonds9

About [[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene

[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene (PubChem CID 10449767) has the molecular formula C13H21FO5P2 and a molecular weight of 338.25 g/mol. Its IUPAC name is [[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene.

Molecular Properties

Compound Name[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
PubChem CID10449767
Molecular FormulaC13H21FO5P2
Molecular Weight338.25 g/mol
Exact Mass338.08
IUPAC Name[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
SMILESCCOP(=O)(OCC)[C@@H](F)[P@@](=O)(OCC)c1ccccc1
InChIInChI=1S/C13H21FO5P2/c1-4-17-20(15,12-10-8-7-9-11-12)13(14)21(16,18-5-2)19-6-3/h7-11,13H,4-6H2,1-3H3/t13-,20-/m0/s1
InChIKeyRWFQKNGBEUIECF-RBZFPXEDSA-N
XLogP4.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
[[azido(diethoxyphosphoryl)methyl]-ethoxyphosphoryl]benzene
CID 21015356
2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
CID 46220815
[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene
CID 23280723
(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
CID 11861697
1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
CID 177454957
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
phenyl 2-diethoxyphosphoryl-2-fluoroacetate
CID 10979130
1-[ethoxy(phenyl)phosphoryl]-3-methyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 101246297

Frequently Asked Questions

What is the IUPAC name of [[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene?
The IUPAC name of [[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene (CID 10449767) is [[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene.
What is the SMILES notation for [[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene?
The canonical SMILES for [[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene is CCOP(=O)(OCC)[C@@H](F)[P@@](=O)(OCC)c1ccccc1.
What is the InChIKey of [[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene?
The InChIKey is RWFQKNGBEUIECF-RBZFPXEDSA-N. The full InChI is InChI=1S/C13H21FO5P2/c1-4-17-20(15,12-10-8-7-9-11-12)13(14)21(16,18-5-2)19-6-3/h7-11,13H,4-6H2,1-3H3/t13-,20-/m0/s1.
What are the key properties of [[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene?
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene has a molecular weight of 338.25 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene is sourced from PubChem (CID 10449767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).