2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane

C9H20FO3P — CID 54453789

IUPAC2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
SMILESCC(C)(C)OP(=O)(CF)OC(C)(C)C
InChIInChI=1S/C9H20FO3P/c1-8(2,3)12-14(11,7-10)13-9(4,5)6/h7H2,1-6H3
InChIKeyWWTOUSHXLFFDOE-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.74
Rot. Bonds3

About 2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane

2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane (PubChem CID 54453789) has the molecular formula C9H20FO3P and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
PubChem CID54453789
Molecular FormulaC9H20FO3P
Molecular Weight226.23 g/mol
Exact Mass226.11
IUPAC Name2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
SMILESCC(C)(C)OP(=O)(CF)OC(C)(C)C
InChIInChI=1S/C9H20FO3P/c1-8(2,3)12-14(11,7-10)13-9(4,5)6/h7H2,1-6H3
InChIKeyWWTOUSHXLFFDOE-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.74
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-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane?
The IUPAC name of 2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane (CID 54453789) is 2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane is CC(C)(C)OP(=O)(CF)OC(C)(C)C.
What is the InChIKey of 2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane?
The InChIKey is WWTOUSHXLFFDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FO3P/c1-8(2,3)12-14(11,7-10)13-9(4,5)6/h7H2,1-6H3.
What are the key properties of 2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane?
2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane has a molecular weight of 226.23 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoromethyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane is sourced from PubChem (CID 54453789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).