diethyl 1-fluoroethyl phosphate

C6H14FO4P — CID 118036853

IUPACdiethyl 1-fluoroethyl phosphate
SMILESCCOP(=O)(OCC)OC(C)F
InChIInChI=1S/C6H14FO4P/c1-4-9-12(8,10-5-2)11-6(3)7/h6H,4-5H2,1-3H3
InChIKeyIIXAHIRAFHVCDQ-UHFFFAOYSA-N
MW200.15 g/mol
LogP2.50
Rot. Bonds6

About diethyl 1-fluoroethyl phosphate

diethyl 1-fluoroethyl phosphate (PubChem CID 118036853) has the molecular formula C6H14FO4P and a molecular weight of 200.15 g/mol. Its IUPAC name is diethyl 1-fluoroethyl phosphate.

Molecular Properties

Compound Namediethyl 1-fluoroethyl phosphate
PubChem CID118036853
Molecular FormulaC6H14FO4P
Molecular Weight200.15 g/mol
Exact Mass200.06
IUPAC Namediethyl 1-fluoroethyl phosphate
SMILESCCOP(=O)(OCC)OC(C)F
InChIInChI=1S/C6H14FO4P/c1-4-9-12(8,10-5-2)11-6(3)7/h6H,4-5H2,1-3H3
InChIKeyIIXAHIRAFHVCDQ-UHFFFAOYSA-N
XLogP2.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Triethyl Phosphate
CID 6535
Diethyl phosphate
CID 654
Diethyl hydrogen phosphite
CID 6327654
Diethyl phosphoric acid
CID 5166299
Diethyl fluorophosphate
CID 67752
Phosphoric acid, diethyl ester, sodium salt (1:1)
CID 23668382
Ethyl dimethyl phosphate
CID 82641
Diethyl methyl phosphate
CID 120420
Phosphonic acid, (fluoromethyl)-, diethyl ester
CID 178918
Tetraethyl (fluoromethylene)bis(phosphonate)
CID 10935649
Dimethyl propyl phosphate
CID 12494392
Tris[(~13~C_2_)ethyl] phosphate
CID 71309706

Frequently Asked Questions

What is the IUPAC name of diethyl 1-fluoroethyl phosphate?
The IUPAC name of diethyl 1-fluoroethyl phosphate (CID 118036853) is diethyl 1-fluoroethyl phosphate.
What is the SMILES notation for diethyl 1-fluoroethyl phosphate?
The canonical SMILES for diethyl 1-fluoroethyl phosphate is CCOP(=O)(OCC)OC(C)F.
What is the InChIKey of diethyl 1-fluoroethyl phosphate?
The InChIKey is IIXAHIRAFHVCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO4P/c1-4-9-12(8,10-5-2)11-6(3)7/h6H,4-5H2,1-3H3.
What are the key properties of diethyl 1-fluoroethyl phosphate?
diethyl 1-fluoroethyl phosphate has a molecular weight of 200.15 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-fluoroethyl phosphate is sourced from PubChem (CID 118036853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).