1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane

C9H18BrF2O4P — CID 87262989

IUPAC1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane
SMILESCCOP(=O)(CCC(F)(F)OCCBr)OCC
InChIInChI=1S/C9H18BrF2O4P/c1-3-15-17(13,16-4-2)8-5-9(11,12)14-7-6-10/h3-8H2,1-2H3
InChIKeySYDSWRVYOSCWSP-UHFFFAOYSA-N
MW339.11 g/mol
LogP3.65
Rot. Bonds10

About 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane

1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane (PubChem CID 87262989) has the molecular formula C9H18BrF2O4P and a molecular weight of 339.11 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane.

Molecular Properties

Compound Name1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane
PubChem CID87262989
Molecular FormulaC9H18BrF2O4P
Molecular Weight339.11 g/mol
Exact Mass338.01
IUPAC Name1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane
SMILESCCOP(=O)(CCC(F)(F)OCCBr)OCC
InChIInChI=1S/C9H18BrF2O4P/c1-3-15-17(13,16-4-2)8-5-9(11,12)14-7-6-10/h3-8H2,1-2H3
InChIKeySYDSWRVYOSCWSP-UHFFFAOYSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane 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

3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane
CID 89445600
3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
CID 88949671
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane
CID 21027105
4-diethoxyphosphoryl-1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]butane
CID 154734584
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
2-[4-(4-diethoxyphosphoryl-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethoxymethylbenzene
CID 138624959
2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane
CID 71385662
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
2-deuterio-1-diethoxyphosphorylbutane
CID 102385353
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane?
The IUPAC name of 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane (CID 87262989) is 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane.
What is the SMILES notation for 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane?
The canonical SMILES for 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane is CCOP(=O)(CCC(F)(F)OCCBr)OCC.
What is the InChIKey of 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane?
The InChIKey is SYDSWRVYOSCWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrF2O4P/c1-3-15-17(13,16-4-2)8-5-9(11,12)14-7-6-10/h3-8H2,1-2H3.
What are the key properties of 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane?
1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane has a molecular weight of 339.11 g/mol, XLogP of 3.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane is sourced from PubChem (CID 87262989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).