2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane

C10H11F12O3P — CID 126706293

IUPAC2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane
SMILESCC(C)(C)P(=O)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F12O3P/c1-6(2,3)26(23,24-4(7(11,12)13)8(14,15)16)25-5(9(17,18)19)10(20,21)22/h4-5H,1-3H3
InChIKeyJSYGUUBJYIBSGX-UHFFFAOYSA-N
MW438.15 g/mol
LogP6.00
Rot. Bonds4

About 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane

2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane (PubChem CID 126706293) has the molecular formula C10H11F12O3P and a molecular weight of 438.15 g/mol. Its IUPAC name is 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane
PubChem CID126706293
Molecular FormulaC10H11F12O3P
Molecular Weight438.15 g/mol
Exact Mass438.03
IUPAC Name2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane
SMILESCC(C)(C)P(=O)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F12O3P/c1-6(2,3)26(23,24-4(7(11,12)13)8(14,15)16)25-5(9(17,18)19)10(20,21)22/h4-5H,1-3H3
InChIKeyJSYGUUBJYIBSGX-UHFFFAOYSA-N
XLogP6.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.15
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane 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 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane?
The IUPAC name of 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane (CID 126706293) is 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane.
What is the SMILES notation for 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane?
The canonical SMILES for 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane is CC(C)(C)P(=O)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane?
The InChIKey is JSYGUUBJYIBSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F12O3P/c1-6(2,3)26(23,24-4(7(11,12)13)8(14,15)16)25-5(9(17,18)19)10(20,21)22/h4-5H,1-3H3.
What are the key properties of 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane?
2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane has a molecular weight of 438.15 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]-2-methylpropane is sourced from PubChem (CID 126706293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).