bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium

C14H12F2O5PS2+ — CID 175504461

IUPACbis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium
SMILESO=[P+](OC[S@@](=O)c1cccc(F)c1)OC[S@@](=O)c1cccc(F)c1
InChIInChI=1S/C14H12F2O5PS2/c15-11-3-1-5-13(7-11)23(18)9-20-22(17)21-10-24(19)14-6-2-4-12(16)8-14/h1-8H,9-10H2/q+1/t23-,24-/m1/s1
InChIKeyHVXIEGHWPOUFLO-DNQXCXABSA-N
MW393.35 g/mol
LogP3.49
Rot. Bonds8

About bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium

bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium (PubChem CID 175504461) has the molecular formula C14H12F2O5PS2+ and a molecular weight of 393.35 g/mol. Its IUPAC name is bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium
PubChem CID175504461
Molecular FormulaC14H12F2O5PS2+
Molecular Weight393.35 g/mol
Exact Mass392.98
IUPAC Namebis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium
SMILESO=[P+](OC[S@@](=O)c1cccc(F)c1)OC[S@@](=O)c1cccc(F)c1
InChIInChI=1S/C14H12F2O5PS2/c15-11-3-1-5-13(7-11)23(18)9-20-22(17)21-10-24(19)14-6-2-4-12(16)8-14/h1-8H,9-10H2/q+1/t23-,24-/m1/s1
InChIKeyHVXIEGHWPOUFLO-DNQXCXABSA-N
XLogP3.49
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 53.49
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-fluoro-3-(phenylmethoxymethylsulfinyl)benzene
CID 102940814
1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine
CID 107508854
bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
CID 175504483
1-fluoro-3-[(R)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859236
1-fluoro-3-[2-(2-methylpropoxy)ethylsulfinyl]benzene
CID 106458393
3-[(3-fluorophenyl)sulfinylmethyl]pentan-3-ol
CID 114497118
[4-[3-(3-fluorophenyl)sulfinylpropoxy]phenyl]methanamine
CID 81333382
3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole
CID 130927637
bis[[(S)-bis(4-fluorophenyl)methylsulfinyl]methoxy]-oxophosphanium
CID 175504422
2-fluoro-3-[(3-fluorophenyl)sulfinylmethyl]benzonitrile
CID 107120079
2-[(R)-(3-fluorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 71283163
1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 63791219

Frequently Asked Questions

What is the IUPAC name of bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium?
The IUPAC name of bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium (CID 175504461) is bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium.
What is the SMILES notation for bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium?
The canonical SMILES for bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium is O=[P+](OC[S@@](=O)c1cccc(F)c1)OC[S@@](=O)c1cccc(F)c1.
What is the InChIKey of bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium?
The InChIKey is HVXIEGHWPOUFLO-DNQXCXABSA-N. The full InChI is InChI=1S/C14H12F2O5PS2/c15-11-3-1-5-13(7-11)23(18)9-20-22(17)21-10-24(19)14-6-2-4-12(16)8-14/h1-8H,9-10H2/q+1/t23-,24-/m1/s1.
What are the key properties of bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium?
bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium has a molecular weight of 393.35 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium is sourced from PubChem (CID 175504461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).