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

C7H14BrF2O3P — CID 11044628

IUPAC2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)(F)Br
InChIInChI=1S/C7H14BrF2O3P/c1-5(2)12-14(11,7(8,9)10)13-6(3)4/h5-6H,1-4H3
InChIKeyOGCQRYPCAKIVIF-UHFFFAOYSA-N
MW295.06 g/mol
LogP3.97
Rot. Bonds5

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

2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 11044628) has the molecular formula C7H14BrF2O3P and a molecular weight of 295.06 g/mol. Its IUPAC name is 2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane
PubChem CID11044628
Molecular FormulaC7H14BrF2O3P
Molecular Weight295.06 g/mol
Exact Mass293.98
IUPAC Name2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)(F)Br
InChIInChI=1S/C7H14BrF2O3P/c1-5(2)12-14(11,7(8,9)10)13-6(3)4/h5-6H,1-4H3
InChIKeyOGCQRYPCAKIVIF-UHFFFAOYSA-N
XLogP3.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.06
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane (CID 11044628) is 2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(OC(C)C)C(F)(F)Br.
What is the InChIKey of 2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is OGCQRYPCAKIVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrF2O3P/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-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane?
2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 295.06 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bromo(difluoro)methyl]-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 11044628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).