2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane

C8H18FO2P — CID 139637420

IUPAC2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane
SMILESCC(C)(C)OP(=O)(F)C(C)(C)C
InChIInChI=1S/C8H18FO2P/c1-7(2,3)11-12(9,10)8(4,5)6/h1-6H3
InChIKeyLLKRGYFNGDNNDV-UHFFFAOYSA-N
MW196.20 g/mol
LogP3.76
Rot. Bonds1

About 2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane

2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane (PubChem CID 139637420) has the molecular formula C8H18FO2P and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane
PubChem CID139637420
Molecular FormulaC8H18FO2P
Molecular Weight196.20 g/mol
Exact Mass196.10
IUPAC Name2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane
SMILESCC(C)(C)OP(=O)(F)C(C)(C)C
InChIInChI=1S/C8H18FO2P/c1-7(2,3)11-12(9,10)8(4,5)6/h1-6H3
InChIKeyLLKRGYFNGDNNDV-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane?
The IUPAC name of 2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane (CID 139637420) is 2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane is CC(C)(C)OP(=O)(F)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane?
The InChIKey is LLKRGYFNGDNNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FO2P/c1-7(2,3)11-12(9,10)8(4,5)6/h1-6H3.
What are the key properties of 2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane?
2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane has a molecular weight of 196.20 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(fluoro)phosphoryl]oxy-2-methylpropane is sourced from PubChem (CID 139637420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).