2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane

C8H13F6O3P — CID 58320064

IUPAC2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
SMILESCC(C)(C)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C8H13F6O3P/c1-6(2,3)18(15,16-4-7(9,10)11)17-5-8(12,13)14/h4-5H2,1-3H3
InChIKeyXOXZRELPKAPFAF-UHFFFAOYSA-N
MW302.15 g/mol
LogP4.14
Rot. Bonds4

About 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane

2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane (PubChem CID 58320064) has the molecular formula C8H13F6O3P and a molecular weight of 302.15 g/mol. Its IUPAC name is 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
PubChem CID58320064
Molecular FormulaC8H13F6O3P
Molecular Weight302.15 g/mol
Exact Mass302.05
IUPAC Name2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
SMILESCC(C)(C)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C8H13F6O3P/c1-6(2,3)18(15,16-4-7(9,10)11)17-5-8(12,13)14/h4-5H2,1-3H3
InChIKeyXOXZRELPKAPFAF-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 54.14
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-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane?
The IUPAC name of 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane (CID 58320064) is 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane.
What is the SMILES notation for 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane?
The canonical SMILES for 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane is CC(C)(C)P(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane?
The InChIKey is XOXZRELPKAPFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6O3P/c1-6(2,3)18(15,16-4-7(9,10)11)17-5-8(12,13)14/h4-5H2,1-3H3.
What are the key properties of 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane?
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane has a molecular weight of 302.15 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane is sourced from PubChem (CID 58320064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).