[diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene

C11H16FO3PS — CID 10468769

IUPAC[diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene
SMILESCCOP(=O)(OCC)C(F)Sc1ccccc1
InChIInChI=1S/C11H16FO3PS/c1-3-14-16(13,15-4-2)11(12)17-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeySJRWILGTASZWBE-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.30
Rot. Bonds7

About [diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene

[diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene (PubChem CID 10468769) has the molecular formula C11H16FO3PS and a molecular weight of 278.28 g/mol. Its IUPAC name is [diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene.

Molecular Properties

Compound Name[diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene
PubChem CID10468769
Molecular FormulaC11H16FO3PS
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name[diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene
SMILESCCOP(=O)(OCC)C(F)Sc1ccccc1
InChIInChI=1S/C11H16FO3PS/c1-3-14-16(13,15-4-2)11(12)17-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeySJRWILGTASZWBE-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene?
The IUPAC name of [diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene (CID 10468769) is [diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene.
What is the SMILES notation for [diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene?
The canonical SMILES for [diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene is CCOP(=O)(OCC)C(F)Sc1ccccc1.
What is the InChIKey of [diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene?
The InChIKey is SJRWILGTASZWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FO3PS/c1-3-14-16(13,15-4-2)11(12)17-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3.
What are the key properties of [diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene?
[diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene has a molecular weight of 278.28 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxyphosphoryl(fluoro)methyl]sulfanylbenzene is sourced from PubChem (CID 10468769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).