1-[bis(iodomethyl)phosphoryloxy]ethane

C4H9I2O2P — CID 28223

IUPAC1-[bis(iodomethyl)phosphoryloxy]ethane
SMILESCCOP(=O)(CI)CI
InChIInChI=1S/C4H9I2O2P/c1-2-8-9(7,3-5)4-6/h2-4H2,1H3
InChIKeyLCHQKMOOALSDBN-UHFFFAOYSA-N
MW373.90 g/mol
LogP3.09
Rot. Bonds4

About 1-[bis(iodomethyl)phosphoryloxy]ethane

1-[bis(iodomethyl)phosphoryloxy]ethane (PubChem CID 28223) has the molecular formula C4H9I2O2P and a molecular weight of 373.90 g/mol. Its IUPAC name is 1-[bis(iodomethyl)phosphoryloxy]ethane.

Molecular Properties

Compound Name1-[bis(iodomethyl)phosphoryloxy]ethane
PubChem CID28223
Molecular FormulaC4H9I2O2P
Molecular Weight373.90 g/mol
Exact Mass373.84
IUPAC Name1-[bis(iodomethyl)phosphoryloxy]ethane
SMILESCCOP(=O)(CI)CI
InChIInChI=1S/C4H9I2O2P/c1-2-8-9(7,3-5)4-6/h2-4H2,1H3
InChIKeyLCHQKMOOALSDBN-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.90
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(ethyl)phosphoryl]methanol
CID 129384384
2-[ethoxy(ethyl)phosphoryl]ethanamine
CID 142790318
CID 131882906
CID 131882906
tetrasodium ethyl phosphate
CID 141178132
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
disodium;ethyl phosphate
CID 11970393
diaminophosphoryloxyethane
CID 12620494
2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane
CID 6421638
1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane
CID 10330081
N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine
CID 126542293
copper bis(diethyl phosphate)
CID 23448356
copper;diethyl hydrogen phosphate
CID 174593393

Frequently Asked Questions

What is the IUPAC name of 1-[bis(iodomethyl)phosphoryloxy]ethane?
The IUPAC name of 1-[bis(iodomethyl)phosphoryloxy]ethane (CID 28223) is 1-[bis(iodomethyl)phosphoryloxy]ethane.
What is the SMILES notation for 1-[bis(iodomethyl)phosphoryloxy]ethane?
The canonical SMILES for 1-[bis(iodomethyl)phosphoryloxy]ethane is CCOP(=O)(CI)CI.
What is the InChIKey of 1-[bis(iodomethyl)phosphoryloxy]ethane?
The InChIKey is LCHQKMOOALSDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9I2O2P/c1-2-8-9(7,3-5)4-6/h2-4H2,1H3.
What are the key properties of 1-[bis(iodomethyl)phosphoryloxy]ethane?
1-[bis(iodomethyl)phosphoryloxy]ethane has a molecular weight of 373.90 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(iodomethyl)phosphoryloxy]ethane is sourced from PubChem (CID 28223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).