bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene

C11H11F6O4PS — CID 10905096

IUPACbis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene
SMILESO=S(CP(=O)(OCC(F)(F)F)OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F6O4PS/c12-10(13,14)6-20-22(18,21-7-11(15,16)17)8-23(19)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyMZORVWLOKORJON-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.10
Rot. Bonds7

About bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene

bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene (PubChem CID 10905096) has the molecular formula C11H11F6O4PS and a molecular weight of 384.23 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene
PubChem CID10905096
Molecular FormulaC11H11F6O4PS
Molecular Weight384.23 g/mol
Exact Mass384.00
IUPAC Namebis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene
SMILESO=S(CP(=O)(OCC(F)(F)F)OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F6O4PS/c12-10(13,14)6-20-22(18,21-7-11(15,16)17)8-23(19)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyMZORVWLOKORJON-UHFFFAOYSA-N
XLogP4.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl phenylthiomethylphosphonate
CID 99227
Diethyl fluoro(phenylsulfonyl)methylphosphonate
CID 11833843
Phosphoric acid, diethyl 1-(phenylthio)vinyl ester
CID 200572
Diethyl ((phenylsulfonyl)methyl)phosphonate
CID 10891636
Diethyl (phenylthiomethyl-13C)phosphonate
CID 87229060
[(E)-3-diethoxyphosphoryl-3,3-difluoroprop-1-enyl]sulfonylbenzene
CID 11035606
(1-Diethoxyphosphoryl-1-fluoro-3-methylbutyl)sulfonylbenzene
CID 101149171
(Diethoxyphosphoryl-fluoromethyl)sulfanylbenzene
CID 10468769
Diethoxyphosphoryl-methylsulfinyl-benzene
CID 10858739
Diethyl (((4-fluorophenyl)sulfonyl)methyl)phosphonate
CID 15921450
Bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfanylbenzene
CID 11046828
[Diethoxyphosphoryl(fluoro)methyl]sulfinylbenzene
CID 13866148

Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene?
The IUPAC name of bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene (CID 10905096) is bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene.
What is the SMILES notation for bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene?
The canonical SMILES for bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene is O=S(CP(=O)(OCC(F)(F)F)OCC(F)(F)F)c1ccccc1.
What is the InChIKey of bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene?
The InChIKey is MZORVWLOKORJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6O4PS/c12-10(13,14)6-20-22(18,21-7-11(15,16)17)8-23(19)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene?
bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene has a molecular weight of 384.23 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfinylbenzene is sourced from PubChem (CID 10905096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).