N-diethoxyphosphinothioyl-3-fluoroaniline

C10H15FNO2PS — CID 778591

IUPACN-diethoxyphosphinothioyl-3-fluoroaniline
SMILESCCOP(=S)(Nc1cccc(F)c1)OCC
InChIInChI=1S/C10H15FNO2PS/c1-3-13-15(16,14-4-2)12-10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3,(H,12,16)
InChIKeyXYWSRWZHUANSIF-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.54
Rot. Bonds6

About N-diethoxyphosphinothioyl-3-fluoroaniline

N-diethoxyphosphinothioyl-3-fluoroaniline (PubChem CID 778591) has the molecular formula C10H15FNO2PS and a molecular weight of 263.27 g/mol. Its IUPAC name is N-diethoxyphosphinothioyl-3-fluoroaniline.

Molecular Properties

Compound NameN-diethoxyphosphinothioyl-3-fluoroaniline
PubChem CID778591
Molecular FormulaC10H15FNO2PS
Molecular Weight263.27 g/mol
Exact Mass263.05
IUPAC NameN-diethoxyphosphinothioyl-3-fluoroaniline
SMILESCCOP(=S)(Nc1cccc(F)c1)OCC
InChIInChI=1S/C10H15FNO2PS/c1-3-13-15(16,14-4-2)12-10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3,(H,12,16)
InChIKeyXYWSRWZHUANSIF-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphinothioyl-3-fluoroaniline?
The IUPAC name of N-diethoxyphosphinothioyl-3-fluoroaniline (CID 778591) is N-diethoxyphosphinothioyl-3-fluoroaniline.
What is the SMILES notation for N-diethoxyphosphinothioyl-3-fluoroaniline?
The canonical SMILES for N-diethoxyphosphinothioyl-3-fluoroaniline is CCOP(=S)(Nc1cccc(F)c1)OCC.
What is the InChIKey of N-diethoxyphosphinothioyl-3-fluoroaniline?
The InChIKey is XYWSRWZHUANSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FNO2PS/c1-3-13-15(16,14-4-2)12-10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3,(H,12,16).
What are the key properties of N-diethoxyphosphinothioyl-3-fluoroaniline?
N-diethoxyphosphinothioyl-3-fluoroaniline has a molecular weight of 263.27 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphinothioyl-3-fluoroaniline is sourced from PubChem (CID 778591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).