1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane

C5H12FO3P — CID 542308

IUPAC1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane
SMILESCCP(=O)(F)OCCOC
InChIInChI=1S/C5H12FO3P/c1-3-10(6,7)9-5-4-8-2/h3-5H2,1-2H3
InChIKeyFYZHDUOCGFQGSK-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.83
Rot. Bonds5

About 1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane

1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane (PubChem CID 542308) has the molecular formula C5H12FO3P and a molecular weight of 170.12 g/mol. Its IUPAC name is 1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane.

Molecular Properties

Compound Name1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane
PubChem CID542308
Molecular FormulaC5H12FO3P
Molecular Weight170.12 g/mol
Exact Mass170.05
IUPAC Name1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane
SMILESCCP(=O)(F)OCCOC
InChIInChI=1S/C5H12FO3P/c1-3-10(6,7)9-5-4-8-2/h3-5H2,1-2H3
InChIKeyFYZHDUOCGFQGSK-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

Propyl Ethylphosphonofluoridate
CID 520458
Ethyl ethylphosphonofluoridate
CID 522151
Ethyl 2-methoxyethyl methylphosphonate
CID 547072
Ethyl isopropylphosphonofluoridate
CID 581246
Ethyl propylphosphonofluoridate
CID 581414
Ethyl(2-methoxyethoxy)phosphinic acid
CID 24829040
Methylphoshonic acid, fluoroanhydride, 2-methoxyethyl ester
CID 542307
Methylphoshonic acid, fluoroanhydride, 2-ethoxyethyl ester
CID 567273
Ethylphoshonic acid, fluoroanhydride, 2-ethoxyethyl ester
CID 574750
Propyl isopropylphosphonofluoridate
CID 581249
Propyl propylphosphonofluoridate
CID 581413
1-[Fluoro(methoxymethyl)phosphoryl]oxyethane
CID 12585489

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane?
The IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane (CID 542308) is 1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane.
What is the SMILES notation for 1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane?
The canonical SMILES for 1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane is CCP(=O)(F)OCCOC.
What is the InChIKey of 1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane?
The InChIKey is FYZHDUOCGFQGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO3P/c1-3-10(6,7)9-5-4-8-2/h3-5H2,1-2H3.
What are the key properties of 1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane?
1-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane 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-[ethyl(fluoro)phosphoryl]oxy-2-methoxyethane is sourced from PubChem (CID 542308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).