ethyl propyl 2,2,2-trifluoroethyl phosphate

C7H14F3O4P — CID 13368244

IUPACethyl propyl 2,2,2-trifluoroethyl phosphate
SMILESCCCOP(=O)(OCC)OCC(F)(F)F
InChIInChI=1S/C7H14F3O4P/c1-3-5-13-15(11,12-4-2)14-6-7(8,9)10/h3-6H2,1-2H3
InChIKeyFZRDCNKIFCPZSZ-UHFFFAOYSA-N
MW250.15 g/mol
LogP3.14
Rot. Bonds7

About ethyl propyl 2,2,2-trifluoroethyl phosphate

ethyl propyl 2,2,2-trifluoroethyl phosphate (PubChem CID 13368244) has the molecular formula C7H14F3O4P and a molecular weight of 250.15 g/mol. Its IUPAC name is ethyl propyl 2,2,2-trifluoroethyl phosphate.

Molecular Properties

Compound Nameethyl propyl 2,2,2-trifluoroethyl phosphate
PubChem CID13368244
Molecular FormulaC7H14F3O4P
Molecular Weight250.15 g/mol
Exact Mass250.06
IUPAC Nameethyl propyl 2,2,2-trifluoroethyl phosphate
SMILESCCCOP(=O)(OCC)OCC(F)(F)F
InChIInChI=1S/C7H14F3O4P/c1-3-5-13-15(11,12-4-2)14-6-7(8,9)10/h3-6H2,1-2H3
InChIKeyFZRDCNKIFCPZSZ-UHFFFAOYSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl propyl 2,2,2-trifluoroethyl phosphate?
The IUPAC name of ethyl propyl 2,2,2-trifluoroethyl phosphate (CID 13368244) is ethyl propyl 2,2,2-trifluoroethyl phosphate.
What is the SMILES notation for ethyl propyl 2,2,2-trifluoroethyl phosphate?
The canonical SMILES for ethyl propyl 2,2,2-trifluoroethyl phosphate is CCCOP(=O)(OCC)OCC(F)(F)F.
What is the InChIKey of ethyl propyl 2,2,2-trifluoroethyl phosphate?
The InChIKey is FZRDCNKIFCPZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3O4P/c1-3-5-13-15(11,12-4-2)14-6-7(8,9)10/h3-6H2,1-2H3.
What are the key properties of ethyl propyl 2,2,2-trifluoroethyl phosphate?
ethyl propyl 2,2,2-trifluoroethyl phosphate has a molecular weight of 250.15 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propyl 2,2,2-trifluoroethyl phosphate is sourced from PubChem (CID 13368244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).