ethyl bis(2,2,2-trifluoroethyl) phosphite

C6H9F6O3P — CID 58040759

IUPACethyl bis(2,2,2-trifluoroethyl) phosphite
SMILESCCOP(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H9F6O3P/c1-2-13-16(14-3-5(7,8)9)15-4-6(10,11)12/h2-4H2,1H3
InChIKeyKTIKQGKVZMNJRF-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.41
Rot. Bonds6

About ethyl bis(2,2,2-trifluoroethyl) phosphite

ethyl bis(2,2,2-trifluoroethyl) phosphite (PubChem CID 58040759) has the molecular formula C6H9F6O3P and a molecular weight of 274.10 g/mol. Its IUPAC name is ethyl bis(2,2,2-trifluoroethyl) phosphite.

Molecular Properties

Compound Nameethyl bis(2,2,2-trifluoroethyl) phosphite
PubChem CID58040759
Molecular FormulaC6H9F6O3P
Molecular Weight274.10 g/mol
Exact Mass274.02
IUPAC Nameethyl bis(2,2,2-trifluoroethyl) phosphite
SMILESCCOP(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H9F6O3P/c1-2-13-16(14-3-5(7,8)9)15-4-6(10,11)12/h2-4H2,1H3
InChIKeyKTIKQGKVZMNJRF-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 bis(2,2,2-trifluoroethyl) phosphite?
The IUPAC name of ethyl bis(2,2,2-trifluoroethyl) phosphite (CID 58040759) is ethyl bis(2,2,2-trifluoroethyl) phosphite.
What is the SMILES notation for ethyl bis(2,2,2-trifluoroethyl) phosphite?
The canonical SMILES for ethyl bis(2,2,2-trifluoroethyl) phosphite is CCOP(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of ethyl bis(2,2,2-trifluoroethyl) phosphite?
The InChIKey is KTIKQGKVZMNJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6O3P/c1-2-13-16(14-3-5(7,8)9)15-4-6(10,11)12/h2-4H2,1H3.
What are the key properties of ethyl bis(2,2,2-trifluoroethyl) phosphite?
ethyl bis(2,2,2-trifluoroethyl) phosphite has a molecular weight of 274.10 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl bis(2,2,2-trifluoroethyl) phosphite is sourced from PubChem (CID 58040759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).