1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane

C7H10F6IO4P — CID 10993690

IUPAC1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
SMILESO=P(COCCI)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H10F6IO4P/c8-6(9,10)3-17-19(15,5-16-2-1-14)18-4-7(11,12)13/h1-5H2
InChIKeyFBCPWTURELUJAL-UHFFFAOYSA-N
MW430.02 g/mol
LogP3.75
Rot. Bonds8

About 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane

1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane (PubChem CID 10993690) has the molecular formula C7H10F6IO4P and a molecular weight of 430.02 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
PubChem CID10993690
Molecular FormulaC7H10F6IO4P
Molecular Weight430.02 g/mol
Exact Mass429.93
IUPAC Name1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
SMILESO=P(COCCI)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H10F6IO4P/c8-6(9,10)3-17-19(15,5-16-2-1-14)18-4-7(11,12)13/h1-5H2
InChIKeyFBCPWTURELUJAL-UHFFFAOYSA-N
XLogP3.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.02
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The IUPAC name of 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane (CID 10993690) is 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane is O=P(COCCI)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The InChIKey is FBCPWTURELUJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6IO4P/c8-6(9,10)3-17-19(15,5-16-2-1-14)18-4-7(11,12)13/h1-5H2.
What are the key properties of 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane has a molecular weight of 430.02 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2-iodoethoxymethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 10993690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).