2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane

C17H29F2O4PSi — CID 134937653

IUPAC2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane
SMILESCCOP(=O)(OCC)C(F)(F)c1cccc(COCC[Si](C)(C)C)c1
InChIInChI=1S/C17H29F2O4PSi/c1-6-22-24(20,23-7-2)17(18,19)16-10-8-9-15(13-16)14-21-11-12-25(3,4)5/h8-10,13H,6-7,11-12,14H2,1-5H3
InChIKeyMCQDPYROQRICAQ-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.86
Rot. Bonds11

About 2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane

2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane (PubChem CID 134937653) has the molecular formula C17H29F2O4PSi and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane
PubChem CID134937653
Molecular FormulaC17H29F2O4PSi
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane
SMILESCCOP(=O)(OCC)C(F)(F)c1cccc(COCC[Si](C)(C)C)c1
InChIInChI=1S/C17H29F2O4PSi/c1-6-22-24(20,23-7-2)17(18,19)16-10-8-9-15(13-16)14-21-11-12-25(3,4)5/h8-10,13H,6-7,11-12,14H2,1-5H3
InChIKeyMCQDPYROQRICAQ-UHFFFAOYSA-N
XLogP5.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-diethoxyphosphoryl-3,3-difluoropropoxy)methylbenzene
CID 162539468
1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
CID 15272442
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[[3-(trifluoromethyl)phenyl]methyl]-5,6-bis(2-trimethylsilylethoxymethoxy)-1,3-diazepan-2-one
CID 10843407
4-[diethoxyphosphoryl(difluoro)methyl]aniline;hydrochloride
CID 21088749
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid
CID 87761081
diethyl (3-fluorophenyl)methyl phosphate
CID 68974246
2-diethoxyphosphoryl-2-fluoro-2-phenylacetonitrile
CID 15446190
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
N-[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]-4-(4-octoxyphenyl)benzamide
CID 24824364
(4-diethoxyphosphoryl-4-ethoxy-4-phosphorosobutoxy)methylbenzene
CID 87872148

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane (CID 134937653) is 2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane is CCOP(=O)(OCC)C(F)(F)c1cccc(COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane?
The InChIKey is MCQDPYROQRICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F2O4PSi/c1-6-22-24(20,23-7-2)17(18,19)16-10-8-9-15(13-16)14-21-11-12-25(3,4)5/h8-10,13H,6-7,11-12,14H2,1-5H3.
What are the key properties of 2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane?
2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane has a molecular weight of 394.47 g/mol, XLogP of 5.86, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 134937653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).