1-[difluoromethyl(ethoxy)phosphoryl]oxyethane

C5H11F2O3P — CID 2758305

IUPAC1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)F
InChIInChI=1S/C5H11F2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3
InChIKeyVVFGLBKYBBUTRO-UHFFFAOYSA-N
MW188.11 g/mol
LogP2.48
Rot. Bonds5

About 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane

1-[difluoromethyl(ethoxy)phosphoryl]oxyethane (PubChem CID 2758305) has the molecular formula C5H11F2O3P and a molecular weight of 188.11 g/mol. Its IUPAC name is 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
PubChem CID2758305
Molecular FormulaC5H11F2O3P
Molecular Weight188.11 g/mol
Exact Mass188.04
IUPAC Name1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)F
InChIInChI=1S/C5H11F2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3
InChIKeyVVFGLBKYBBUTRO-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
1-diethoxyphosphoryl-1-fluoro-4-methylpentane
CID 10681487
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
2-diethoxyphosphorylbutane
CID 2733649
1-diethoxyphosphorylethanamine
CID 5149858
3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one
CID 51350832
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
CID 172720622
2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane
CID 89042432
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299

Frequently Asked Questions

What is the IUPAC name of 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane?
The IUPAC name of 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane (CID 2758305) is 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane is CCOP(=O)(OCC)C(F)F.
What is the InChIKey of 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane?
The InChIKey is VVFGLBKYBBUTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane?
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane has a molecular weight of 188.11 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoromethyl(ethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 2758305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).