3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane

C9H17F4O4P — CID 88949671

IUPAC3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
SMILESCCOP(=O)(CCOCC(F)(F)C(F)F)OCC
InChIInChI=1S/C9H17F4O4P/c1-3-16-18(14,17-4-2)6-5-15-7-9(12,13)8(10)11/h8H,3-7H2,1-2H3
InChIKeyAWABHWUECRDIKR-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.17
Rot. Bonds10

About 3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane

3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane (PubChem CID 88949671) has the molecular formula C9H17F4O4P and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
PubChem CID88949671
Molecular FormulaC9H17F4O4P
Molecular Weight296.20 g/mol
Exact Mass296.08
IUPAC Name3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
SMILESCCOP(=O)(CCOCC(F)(F)C(F)F)OCC
InChIInChI=1S/C9H17F4O4P/c1-3-16-18(14,17-4-2)6-5-15-7-9(12,13)8(10)11/h8H,3-7H2,1-2H3
InChIKeyAWABHWUECRDIKR-UHFFFAOYSA-N
XLogP3.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane
CID 21027105
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 138625033
1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane
CID 86667775
3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
CID 55248600
3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
CID 130320253
N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 62455623
2-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]ethanol
CID 97109325
2-diethoxyphosphorylethoxymethylcyclopentane
CID 174164242
N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 62455622
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate
CID 71365690
1-(2-bromoethoxy)-3-diethoxyphosphoryl-1,1-difluoropropane
CID 87262989

Frequently Asked Questions

What is the IUPAC name of 3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane?
The IUPAC name of 3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane (CID 88949671) is 3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane is CCOP(=O)(CCOCC(F)(F)C(F)F)OCC.
What is the InChIKey of 3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane?
The InChIKey is AWABHWUECRDIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4O4P/c1-3-16-18(14,17-4-2)6-5-15-7-9(12,13)8(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane?
3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane has a molecular weight of 296.20 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 88949671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).