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

C6H14FO3P — CID 574750

IUPAC1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane
SMILESCCOCCOP(=O)(F)CC
InChIInChI=1S/C6H14FO3P/c1-3-9-5-6-10-11(7,8)4-2/h3-6H2,1-2H3
InChIKeyBVRQTASMLXNICE-UHFFFAOYSA-N
MW184.15 g/mol
LogP2.22
Rot. Bonds6

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

1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane (PubChem CID 574750) has the molecular formula C6H14FO3P and a molecular weight of 184.15 g/mol. Its IUPAC name is 1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane
PubChem CID574750
Molecular FormulaC6H14FO3P
Molecular Weight184.15 g/mol
Exact Mass184.07
IUPAC Name1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane
SMILESCCOCCOP(=O)(F)CC
InChIInChI=1S/C6H14FO3P/c1-3-9-5-6-10-11(7,8)4-2/h3-6H2,1-2H3
InChIKeyBVRQTASMLXNICE-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.22
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 ethylphosphonofluoridate
CID 522151
Ethylphoshonic acid, fluoroanhydride, 2-methoxyethyl ester
CID 542308
Methylphoshonic acid, fluoroanhydride, 2-methoxyethyl ester
CID 542307
Methylphoshonic acid, fluoroanhydride, 2-ethoxyethyl ester
CID 567273
1-[Fluoro(methoxymethyl)phosphoryl]oxyethane
CID 12585489
1-[[Ethoxy(fluoro)phosphoryl]methoxy]ethane
CID 12585491
1-(2-Difluorophosphoryloxyethoxy)-2-methoxyethane
CID 87187105
1-[2-[Chloro(fluoro)phosphoryl]oxyethoxy]-2-methoxyethane
CID 87753916
2-Ethoxyethoxy(fluoro)phosphinic acid
CID 135364437
Fluoro-[2-(2-methoxyethoxy)ethoxy]phosphinic acid
CID 135364441
1-[Fluoro(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane
CID 175578915
1-[2-[2-[Fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane
CID 175578954

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane?
The IUPAC name of 1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane (CID 574750) is 1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane.
What is the SMILES notation for 1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane?
The canonical SMILES for 1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane is CCOCCOP(=O)(F)CC.
What is the InChIKey of 1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane?
The InChIKey is BVRQTASMLXNICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO3P/c1-3-9-5-6-10-11(7,8)4-2/h3-6H2,1-2H3.
What are the key properties of 1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane?
1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane has a molecular weight of 184.15 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[ethyl(fluoro)phosphoryl]oxyethane is sourced from PubChem (CID 574750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).