1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone

C8H14F3O4P — CID 13204171

IUPAC1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone
SMILESCC(C)OP(=O)(OC(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3O4P/c1-5(2)14-16(13,15-6(3)4)7(12)8(9,10)11/h5-6H,1-4H3
InChIKeyZUOYVKMVEBTRBV-UHFFFAOYSA-N
MW262.16 g/mol
LogP3.12
Rot. Bonds5

About 1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone

1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone (PubChem CID 13204171) has the molecular formula C8H14F3O4P and a molecular weight of 262.16 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone
PubChem CID13204171
Molecular FormulaC8H14F3O4P
Molecular Weight262.16 g/mol
Exact Mass262.06
IUPAC Name1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone
SMILESCC(C)OP(=O)(OC(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3O4P/c1-5(2)14-16(13,15-6(3)4)7(12)8(9,10)11/h5-6H,1-4H3
InChIKeyZUOYVKMVEBTRBV-UHFFFAOYSA-N
XLogP3.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone (CID 13204171) is 1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone is CC(C)OP(=O)(OC(C)C)C(=O)C(F)(F)F.
What is the InChIKey of 1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone?
The InChIKey is ZUOYVKMVEBTRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3O4P/c1-5(2)14-16(13,15-6(3)4)7(12)8(9,10)11/h5-6H,1-4H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone?
1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone has a molecular weight of 262.16 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphoryl-2,2,2-trifluoroethanone is sourced from PubChem (CID 13204171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).