2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane

C7H15F2O3P — CID 2780747

IUPAC2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)F
InChIInChI=1S/C7H15F2O3P/c1-5(2)11-13(10,7(8)9)12-6(3)4/h5-7H,1-4H3
InChIKeyLHZZAGSFNNHJKI-UHFFFAOYSA-N
MW216.16 g/mol
LogP3.25
Rot. Bonds5

About 2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane

2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 2780747) has the molecular formula C7H15F2O3P and a molecular weight of 216.16 g/mol. Its IUPAC name is 2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID2780747
Molecular FormulaC7H15F2O3P
Molecular Weight216.16 g/mol
Exact Mass216.07
IUPAC Name2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)F
InChIInChI=1S/C7H15F2O3P/c1-5(2)11-13(10,7(8)9)12-6(3)4/h5-7H,1-4H3
InChIKeyLHZZAGSFNNHJKI-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 53.25
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 2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane (CID 2780747) is 2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane is CC(C)OP(=O)(OC(C)C)C(F)F.
What is the InChIKey of 2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is LHZZAGSFNNHJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2O3P/c1-5(2)11-13(10,7(8)9)12-6(3)4/h5-7H,1-4H3.
What are the key properties of 2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane?
2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 216.16 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoromethyl(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 2780747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).