2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane

C7H14F2IO3P — CID 10315301

IUPAC2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)(F)I
InChIInChI=1S/C7H14F2IO3P/c1-5(2)12-14(11,7(8,9)10)13-6(3)4/h5-6H,1-4H3
InChIKeyBFUSTTCQRUIZAN-UHFFFAOYSA-N
MW342.06 g/mol
LogP4.01
Rot. Bonds5

About 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane

2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 10315301) has the molecular formula C7H14F2IO3P and a molecular weight of 342.06 g/mol. Its IUPAC name is 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane
PubChem CID10315301
Molecular FormulaC7H14F2IO3P
Molecular Weight342.06 g/mol
Exact Mass341.97
IUPAC Name2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)(F)I
InChIInChI=1S/C7H14F2IO3P/c1-5(2)12-14(11,7(8,9)10)13-6(3)4/h5-6H,1-4H3
InChIKeyBFUSTTCQRUIZAN-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.06
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane 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 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane (CID 10315301) is 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(OC(C)C)C(F)(F)I.
What is the InChIKey of 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is BFUSTTCQRUIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2IO3P/c1-5(2)12-14(11,7(8,9)10)13-6(3)4/h5-6H,1-4H3.
What are the key properties of 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane?
2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 342.06 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[difluoro(iodo)methyl]-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 10315301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).