2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane

C6H9F6O3P — CID 12757477

IUPAC2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCOP(=O)(OC)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6O3P/c1-4(5(7,8)9,6(10,11)12)16(13,14-2)15-3/h1-3H3
InChIKeyGEJWFQVRKVJGKU-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.36
Rot. Bonds3

About 2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane

2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane (PubChem CID 12757477) has the molecular formula C6H9F6O3P and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane
PubChem CID12757477
Molecular FormulaC6H9F6O3P
Molecular Weight274.10 g/mol
Exact Mass274.02
IUPAC Name2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCOP(=O)(OC)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6O3P/c1-4(5(7,8)9,6(10,11)12)16(13,14-2)15-3/h1-3H3
InChIKeyGEJWFQVRKVJGKU-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.36
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-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The IUPAC name of 2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane (CID 12757477) is 2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane.
What is the SMILES notation for 2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The canonical SMILES for 2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane is COP(=O)(OC)C(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The InChIKey is GEJWFQVRKVJGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6O3P/c1-4(5(7,8)9,6(10,11)12)16(13,14-2)15-3/h1-3H3.
What are the key properties of 2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane?
2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane has a molecular weight of 274.10 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoro-2-methylpropane is sourced from PubChem (CID 12757477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).