3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one

C9H16F3O4P — CID 134894233

IUPAC3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
SMILESCC(C)OP(=O)(CC(=O)C(F)(F)F)OC(C)C
InChIInChI=1S/C9H16F3O4P/c1-6(2)15-17(14,16-7(3)4)5-8(13)9(10,11)12/h6-7H,5H2,1-4H3
InChIKeyBZSLKKGTRDCDFA-UHFFFAOYSA-N
MW276.19 g/mol
LogP3.16
Rot. Bonds6

About 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one

3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one (PubChem CID 134894233) has the molecular formula C9H16F3O4P and a molecular weight of 276.19 g/mol. Its IUPAC name is 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
PubChem CID134894233
Molecular FormulaC9H16F3O4P
Molecular Weight276.19 g/mol
Exact Mass276.07
IUPAC Name3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
SMILESCC(C)OP(=O)(CC(=O)C(F)(F)F)OC(C)C
InChIInChI=1S/C9H16F3O4P/c1-6(2)15-17(14,16-7(3)4)5-8(13)9(10,11)12/h6-7H,5H2,1-4H3
InChIKeyBZSLKKGTRDCDFA-UHFFFAOYSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one 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 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one (CID 134894233) is 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one is CC(C)OP(=O)(CC(=O)C(F)(F)F)OC(C)C.
What is the InChIKey of 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one?
The InChIKey is BZSLKKGTRDCDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3O4P/c1-6(2)15-17(14,16-7(3)4)5-8(13)9(10,11)12/h6-7H,5H2,1-4H3.
What are the key properties of 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one?
3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one has a molecular weight of 276.19 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 134894233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).