2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane

C7H16FO2P — CID 170850765

IUPAC2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane
SMILESCC(C)P(=O)(F)OC(C)(C)C
InChIInChI=1S/C7H16FO2P/c1-6(2)11(8,9)10-7(3,4)5/h6H,1-5H3
InChIKeyUAFVEZZOEZORSX-UHFFFAOYSA-N
MW182.17 g/mol
LogP3.37
Rot. Bonds2

About 2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane

2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane (PubChem CID 170850765) has the molecular formula C7H16FO2P and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane
PubChem CID170850765
Molecular FormulaC7H16FO2P
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane
SMILESCC(C)P(=O)(F)OC(C)(C)C
InChIInChI=1S/C7H16FO2P/c1-6(2)11(8,9)10-7(3,4)5/h6H,1-5H3
InChIKeyUAFVEZZOEZORSX-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 53.37
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-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane?
The IUPAC name of 2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane (CID 170850765) is 2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane is CC(C)P(=O)(F)OC(C)(C)C.
What is the InChIKey of 2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane?
The InChIKey is UAFVEZZOEZORSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FO2P/c1-6(2)11(8,9)10-7(3,4)5/h6H,1-5H3.
What are the key properties of 2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane?
2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane has a molecular weight of 182.17 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(propan-2-yl)phosphoryl]oxy-2-methylpropane is sourced from PubChem (CID 170850765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).