bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde

C5H5F6O4P — CID 87699781

IUPACbis(2,2,2-trifluoroethoxy)phosphorylformaldehyde
SMILESO=CP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C5H5F6O4P/c6-4(7,8)1-14-16(13,3-12)15-2-5(9,10)11/h3H,1-2H2
InChIKeyLODJTPZJKCKKPN-UHFFFAOYSA-N
MW274.05 g/mol
LogP2.53
Rot. Bonds5

About bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde

bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde (PubChem CID 87699781) has the molecular formula C5H5F6O4P and a molecular weight of 274.05 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethoxy)phosphorylformaldehyde
PubChem CID87699781
Molecular FormulaC5H5F6O4P
Molecular Weight274.05 g/mol
Exact Mass273.98
IUPAC Namebis(2,2,2-trifluoroethoxy)phosphorylformaldehyde
SMILESO=CP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C5H5F6O4P/c6-4(7,8)1-14-16(13,3-12)15-2-5(9,10)11/h3H,1-2H2
InChIKeyLODJTPZJKCKKPN-UHFFFAOYSA-N
XLogP2.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.05
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde?
The IUPAC name of bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde (CID 87699781) is bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde.
What is the SMILES notation for bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde?
The canonical SMILES for bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde is O=CP(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde?
The InChIKey is LODJTPZJKCKKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6O4P/c6-4(7,8)1-14-16(13,3-12)15-2-5(9,10)11/h3H,1-2H2.
What are the key properties of bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde?
bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde has a molecular weight of 274.05 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethoxy)phosphorylformaldehyde is sourced from PubChem (CID 87699781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).