1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane

C5H12FO3P — CID 567273

IUPAC1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane
SMILESCCOCCOP(C)(=O)F
InChIInChI=1S/C5H12FO3P/c1-3-8-4-5-9-10(2,6)7/h3-5H2,1-2H3
InChIKeyCWIXMLVEBVFKIO-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.83
Rot. Bonds5

About 1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane

1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane (PubChem CID 567273) has the molecular formula C5H12FO3P and a molecular weight of 170.12 g/mol. Its IUPAC name is 1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane
PubChem CID567273
Molecular FormulaC5H12FO3P
Molecular Weight170.12 g/mol
Exact Mass170.05
IUPAC Name1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane
SMILESCCOCCOP(C)(=O)F
InChIInChI=1S/C5H12FO3P/c1-3-8-4-5-9-10(2,6)7/h3-5H2,1-2H3
InChIKeyCWIXMLVEBVFKIO-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-methoxyethyl methylphosphonate
CID 547072
Ethanol, 2-(2-ethoxyethoxy)-, phosphate
CID 20026930
Ethylphoshonic acid, fluoroanhydride, 2-methoxyethyl ester
CID 542308
Methylphoshonic acid, fluoroanhydride, 2-methoxyethyl ester
CID 542307
Ethylphoshonic acid, fluoroanhydride, 2-ethoxyethyl ester
CID 574750
1-[Fluoro(methoxymethyl)phosphoryl]oxyethane
CID 12585489
1-[[Ethoxy(fluoro)phosphoryl]methoxy]ethane
CID 12585491
1-Methoxy-2-[methoxy(methyl)phosphoryl]oxyethane
CID 85989992
1-(2-Difluorophosphoryloxyethoxy)-2-methoxyethane
CID 87187105
1-[2-[Chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane
CID 87753916
1-Dimethylphosphoryloxy-2-(fluoromethoxy)ethane
CID 117861387
Fluoro-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phosphinic acid
CID 135364305

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane?
The IUPAC name of 1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane (CID 567273) is 1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane?
The canonical SMILES for 1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane is CCOCCOP(C)(=O)F.
What is the InChIKey of 1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane?
The InChIKey is CWIXMLVEBVFKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO3P/c1-3-8-4-5-9-10(2,6)7/h3-5H2,1-2H3.
What are the key properties of 1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane?
1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane has a molecular weight of 170.12 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[fluoro(methyl)phosphoryl]oxyethane is sourced from PubChem (CID 567273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).