1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane

C5H10F3O3P — CID 12503717

IUPAC1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)(F)F
InChIInChI=1S/C5H10F3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKeyQFAUKZLHFVELOW-UHFFFAOYSA-N
MW206.10 g/mol
LogP2.77
Rot. Bonds4

About 1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane

1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane (PubChem CID 12503717) has the molecular formula C5H10F3O3P and a molecular weight of 206.10 g/mol. Its IUPAC name is 1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane
PubChem CID12503717
Molecular FormulaC5H10F3O3P
Molecular Weight206.10 g/mol
Exact Mass206.03
IUPAC Name1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(F)(F)F
InChIInChI=1S/C5H10F3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKeyQFAUKZLHFVELOW-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 52.77
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 1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane (CID 12503717) is 1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane is CCOP(=O)(OCC)C(F)(F)F.
What is the InChIKey of 1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane?
The InChIKey is QFAUKZLHFVELOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3.
What are the key properties of 1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane?
1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane has a molecular weight of 206.10 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(trifluoromethyl)phosphoryl]oxyethane is sourced from PubChem (CID 12503717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).