1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene

C13H11F2OPS2 — CID 175123517

IUPAC1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene
SMILESCP(=O)(Sc1ccccc1F)Sc1ccccc1F
InChIInChI=1S/C13H11F2OPS2/c1-17(16,18-12-8-4-2-6-10(12)14)19-13-9-5-3-7-11(13)15/h2-9H,1H3
InChIKeyODJWCBAOAITSPS-UHFFFAOYSA-N
MW316.33 g/mol
LogP5.67
Rot. Bonds4

About 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene

1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene (PubChem CID 175123517) has the molecular formula C13H11F2OPS2 and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene
PubChem CID175123517
Molecular FormulaC13H11F2OPS2
Molecular Weight316.33 g/mol
Exact Mass316.00
IUPAC Name1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene
SMILESCP(=O)(Sc1ccccc1F)Sc1ccccc1F
InChIInChI=1S/C13H11F2OPS2/c1-17(16,18-12-8-4-2-6-10(12)14)19-13-9-5-3-7-11(13)15/h2-9H,1H3
InChIKeyODJWCBAOAITSPS-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.33
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-dichlorophosphorylsulfanyl-2-fluorobenzene
CID 21269228
ethane;1-fluoro-2-methylsulfanylbenzene
CID 143031250
N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine
CID 145089031
2-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine
CID 164645397
triethyl-[(2-fluorophenyl)disulfanyl]azanium
CID 174731021
1-(1-bromoethylsulfanyl)-2-fluorobenzene
CID 70101466
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
[2-(2-fluorophenyl)sulfanylphenyl] acetate
CID 20513500
2-(2-fluorophenyl)sulfanylpyrimidine
CID 91491747
3-(2-fluorophenyl)sulfanyl-2-methylaniline
CID 63063967
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone
CID 20513498

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene?
The IUPAC name of 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene (CID 175123517) is 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene.
What is the SMILES notation for 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene?
The canonical SMILES for 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene is CP(=O)(Sc1ccccc1F)Sc1ccccc1F.
What is the InChIKey of 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene?
The InChIKey is ODJWCBAOAITSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2OPS2/c1-17(16,18-12-8-4-2-6-10(12)14)19-13-9-5-3-7-11(13)15/h2-9H,1H3.
What are the key properties of 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene?
1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene has a molecular weight of 316.33 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene is sourced from PubChem (CID 175123517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).