2-[diethoxyphosphoryl(difluoro)methyl]thiophene

C9H13F2O3PS — CID 10516159

IUPAC2-[diethoxyphosphoryl(difluoro)methyl]thiophene
SMILESCCOP(=O)(OCC)C(F)(F)c1cccs1
InChIInChI=1S/C9H13F2O3PS/c1-3-13-15(12,14-4-2)9(10,11)8-6-5-7-16-8/h5-7H,3-4H2,1-2H3
InChIKeyWGFNMTGMWKXWIQ-UHFFFAOYSA-N
MW270.24 g/mol
LogP4.06
Rot. Bonds6

About 2-[diethoxyphosphoryl(difluoro)methyl]thiophene

2-[diethoxyphosphoryl(difluoro)methyl]thiophene (PubChem CID 10516159) has the molecular formula C9H13F2O3PS and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[diethoxyphosphoryl(difluoro)methyl]thiophene.

Molecular Properties

Compound Name2-[diethoxyphosphoryl(difluoro)methyl]thiophene
PubChem CID10516159
Molecular FormulaC9H13F2O3PS
Molecular Weight270.24 g/mol
Exact Mass270.03
IUPAC Name2-[diethoxyphosphoryl(difluoro)methyl]thiophene
SMILESCCOP(=O)(OCC)C(F)(F)c1cccs1
InChIInChI=1S/C9H13F2O3PS/c1-3-13-15(12,14-4-2)9(10,11)8-6-5-7-16-8/h5-7H,3-4H2,1-2H3
InChIKeyWGFNMTGMWKXWIQ-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 54.06
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 2-[diethoxyphosphoryl(difluoro)methyl]thiophene?
The IUPAC name of 2-[diethoxyphosphoryl(difluoro)methyl]thiophene (CID 10516159) is 2-[diethoxyphosphoryl(difluoro)methyl]thiophene.
What is the SMILES notation for 2-[diethoxyphosphoryl(difluoro)methyl]thiophene?
The canonical SMILES for 2-[diethoxyphosphoryl(difluoro)methyl]thiophene is CCOP(=O)(OCC)C(F)(F)c1cccs1.
What is the InChIKey of 2-[diethoxyphosphoryl(difluoro)methyl]thiophene?
The InChIKey is WGFNMTGMWKXWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2O3PS/c1-3-13-15(12,14-4-2)9(10,11)8-6-5-7-16-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-[diethoxyphosphoryl(difluoro)methyl]thiophene?
2-[diethoxyphosphoryl(difluoro)methyl]thiophene has a molecular weight of 270.24 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphoryl(difluoro)methyl]thiophene is sourced from PubChem (CID 10516159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).