1-[ethoxy(fluoro)phosphoryl]oxybutane

C6H14FO3P — CID 87128197

IUPAC1-[ethoxy(fluoro)phosphoryl]oxybutane
SMILESCCCCOP(=O)(F)OCC
InChIInChI=1S/C6H14FO3P/c1-3-5-6-10-11(7,8)9-4-2/h3-6H2,1-2H3
InChIKeyWAKOIVLXZGXQDG-UHFFFAOYSA-N
MW184.15 g/mol
LogP2.92
Rot. Bonds6

About 1-[ethoxy(fluoro)phosphoryl]oxybutane

1-[ethoxy(fluoro)phosphoryl]oxybutane (PubChem CID 87128197) has the molecular formula C6H14FO3P and a molecular weight of 184.15 g/mol. Its IUPAC name is 1-[ethoxy(fluoro)phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[ethoxy(fluoro)phosphoryl]oxybutane
PubChem CID87128197
Molecular FormulaC6H14FO3P
Molecular Weight184.15 g/mol
Exact Mass184.07
IUPAC Name1-[ethoxy(fluoro)phosphoryl]oxybutane
SMILESCCCCOP(=O)(F)OCC
InChIInChI=1S/C6H14FO3P/c1-3-5-6-10-11(7,8)9-4-2/h3-6H2,1-2H3
InChIKeyWAKOIVLXZGXQDG-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

Diisopropyl Fluorophosphate
CID 5936
Sarin
CID 7871
Phosphonic acid, monobutyl ester
CID 6327918
Butyl methylphosphinate
CID 10877172
Diethyl fluorophosphate
CID 67752
Ethyl methyl phosphorofluoridate
CID 120240
Phosphonic acid, dipropyl ester
CID 6327351
Pentyl methylphosphonofluoridate
CID 518769
Propyl Ethylphosphonofluoridate
CID 520458
1-Methylpropyl methylphosphonofluoridate
CID 520723
Butyl methylphosphonofluoridate
CID 520724
Propyl methylphosphonofluoridate
CID 522613

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(fluoro)phosphoryl]oxybutane?
The IUPAC name of 1-[ethoxy(fluoro)phosphoryl]oxybutane (CID 87128197) is 1-[ethoxy(fluoro)phosphoryl]oxybutane.
What is the SMILES notation for 1-[ethoxy(fluoro)phosphoryl]oxybutane?
The canonical SMILES for 1-[ethoxy(fluoro)phosphoryl]oxybutane is CCCCOP(=O)(F)OCC.
What is the InChIKey of 1-[ethoxy(fluoro)phosphoryl]oxybutane?
The InChIKey is WAKOIVLXZGXQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO3P/c1-3-5-6-10-11(7,8)9-4-2/h3-6H2,1-2H3.
What are the key properties of 1-[ethoxy(fluoro)phosphoryl]oxybutane?
1-[ethoxy(fluoro)phosphoryl]oxybutane has a molecular weight of 184.15 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(fluoro)phosphoryl]oxybutane is sourced from PubChem (CID 87128197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).