2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane

C7H11F6O3P — CID 12757470

IUPAC2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
SMILESCCOP(=O)(OCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6O3P/c1-3-15-17(14,16-4-2)5(6(8,9)10)7(11,12)13/h5H,3-4H2,1-2H3
InChIKeyBCUYENLMBTVOQU-UHFFFAOYSA-N
MW288.12 g/mol
LogP3.75
Rot. Bonds5

About 2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane

2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane (PubChem CID 12757470) has the molecular formula C7H11F6O3P and a molecular weight of 288.12 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
PubChem CID12757470
Molecular FormulaC7H11F6O3P
Molecular Weight288.12 g/mol
Exact Mass288.04
IUPAC Name2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
SMILESCCOP(=O)(OCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6O3P/c1-3-15-17(14,16-4-2)5(6(8,9)10)7(11,12)13/h5H,3-4H2,1-2H3
InChIKeyBCUYENLMBTVOQU-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 53.75
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-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
CID 13026280
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one
CID 51350832
2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane
CID 11862329
2-diethoxyphosphorylbutane
CID 2733649
1-diethoxyphosphorylethanamine
CID 5149858
1-[fluoro(trifluoromethyl)phosphoryl]oxyethane
CID 172746809
(S)-diethoxyphosphoryl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171191830
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene
CID 10404973

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane (CID 12757470) is 2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane is CCOP(=O)(OCC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is BCUYENLMBTVOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6O3P/c1-3-15-17(14,16-4-2)5(6(8,9)10)7(11,12)13/h5H,3-4H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane?
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 288.12 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 12757470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).