diethyl 1-fluoropropyl phosphate

C7H16FO4P — CID 174844382

IUPACdiethyl 1-fluoropropyl phosphate
SMILESCCOP(=O)(OCC)OC(F)CC
InChIInChI=1S/C7H16FO4P/c1-4-7(8)12-13(9,10-5-2)11-6-3/h7H,4-6H2,1-3H3
InChIKeyPXVYOZIEFSSXTR-UHFFFAOYSA-N
MW214.17 g/mol
LogP2.89
Rot. Bonds7

About diethyl 1-fluoropropyl phosphate

diethyl 1-fluoropropyl phosphate (PubChem CID 174844382) has the molecular formula C7H16FO4P and a molecular weight of 214.17 g/mol. Its IUPAC name is diethyl 1-fluoropropyl phosphate.

Molecular Properties

Compound Namediethyl 1-fluoropropyl phosphate
PubChem CID174844382
Molecular FormulaC7H16FO4P
Molecular Weight214.17 g/mol
Exact Mass214.08
IUPAC Namediethyl 1-fluoropropyl phosphate
SMILESCCOP(=O)(OCC)OC(F)CC
InChIInChI=1S/C7H16FO4P/c1-4-7(8)12-13(9,10-5-2)11-6-3/h7H,4-6H2,1-3H3
InChIKeyPXVYOZIEFSSXTR-UHFFFAOYSA-N
XLogP2.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.89
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

[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
CID 172720622
(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
CID 13026280
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
triethyl phosphate;bis(trimethylsilane)
CID 175760856
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
sulfur trioxide;triethyl phosphate
CID 86745268
(1,2-dibromo-2,2-dichloroethyl) diethyl phosphate
CID 21398776
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
aluminum;triethyl phosphate;phosphate
CID 174993171
1-(aziridin-1-yl)propan-2-yl diethyl phosphate
CID 2784441
CID 131882906
CID 131882906
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101

Frequently Asked Questions

What is the IUPAC name of diethyl 1-fluoropropyl phosphate?
The IUPAC name of diethyl 1-fluoropropyl phosphate (CID 174844382) is diethyl 1-fluoropropyl phosphate.
What is the SMILES notation for diethyl 1-fluoropropyl phosphate?
The canonical SMILES for diethyl 1-fluoropropyl phosphate is CCOP(=O)(OCC)OC(F)CC.
What is the InChIKey of diethyl 1-fluoropropyl phosphate?
The InChIKey is PXVYOZIEFSSXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FO4P/c1-4-7(8)12-13(9,10-5-2)11-6-3/h7H,4-6H2,1-3H3.
What are the key properties of diethyl 1-fluoropropyl phosphate?
diethyl 1-fluoropropyl phosphate has a molecular weight of 214.17 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-fluoropropyl phosphate is sourced from PubChem (CID 174844382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).