2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate

C7H15F2O6P — CID 122450441

IUPAC2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate
SMILESCOC(F)(F)COCCOP(=O)(OC)OC
InChIInChI=1S/C7H15F2O6P/c1-11-7(8,9)6-14-4-5-15-16(10,12-2)13-3/h4-6H2,1-3H3
InChIKeyQFQRHKAERNUELW-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.66
Rot. Bonds9

About 2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate

2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate (PubChem CID 122450441) has the molecular formula C7H15F2O6P and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate.

Molecular Properties

Compound Name2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate
PubChem CID122450441
Molecular FormulaC7H15F2O6P
Molecular Weight264.16 g/mol
Exact Mass264.06
IUPAC Name2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate
SMILESCOC(F)(F)COCCOP(=O)(OC)OC
InChIInChI=1S/C7H15F2O6P/c1-11-7(8,9)6-14-4-5-15-16(10,12-2)13-3/h4-6H2,1-3H3
InChIKeyQFQRHKAERNUELW-UHFFFAOYSA-N
XLogP1.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate?
The IUPAC name of 2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate (CID 122450441) is 2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate.
What is the SMILES notation for 2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate?
The canonical SMILES for 2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate is COC(F)(F)COCCOP(=O)(OC)OC.
What is the InChIKey of 2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate?
The InChIKey is QFQRHKAERNUELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2O6P/c1-11-7(8,9)6-14-4-5-15-16(10,12-2)13-3/h4-6H2,1-3H3.
What are the key properties of 2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate?
2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate has a molecular weight of 264.16 g/mol, XLogP of 1.66, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-2-methoxyethoxy)ethyl dimethyl phosphate is sourced from PubChem (CID 122450441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).