1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane

C5H11F2O4P — CID 87187105

IUPAC1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane
SMILESCOCCOCCOP(=O)(F)F
InChIInChI=1S/C5H11F2O4P/c1-9-2-3-10-4-5-11-12(6,7)8/h2-5H2,1H3
InChIKeyFVNOOWWLSWJJEN-UHFFFAOYSA-N
MW204.11 g/mol
LogP1.71
Rot. Bonds7

About 1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane

1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane (PubChem CID 87187105) has the molecular formula C5H11F2O4P and a molecular weight of 204.11 g/mol. Its IUPAC name is 1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane.

Molecular Properties

Compound Name1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane
PubChem CID87187105
Molecular FormulaC5H11F2O4P
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane
SMILESCOCCOCCOP(=O)(F)F
InChIInChI=1S/C5H11F2O4P/c1-9-2-3-10-4-5-11-12(6,7)8/h2-5H2,1H3
InChIKeyFVNOOWWLSWJJEN-UHFFFAOYSA-N
XLogP1.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane?
The IUPAC name of 1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane (CID 87187105) is 1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane.
What is the SMILES notation for 1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane?
The canonical SMILES for 1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane is COCCOCCOP(=O)(F)F.
What is the InChIKey of 1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane?
The InChIKey is FVNOOWWLSWJJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2O4P/c1-9-2-3-10-4-5-11-12(6,7)8/h2-5H2,1H3.
What are the key properties of 1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane?
1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane has a molecular weight of 204.11 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-difluorophosphoryloxyethoxy)-2-methoxyethane is sourced from PubChem (CID 87187105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).