2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane

C7H16FO2P — CID 574786

IUPAC2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane
SMILESCCC(C)(C)OP(=O)(F)CC
InChIInChI=1S/C7H16FO2P/c1-5-7(3,4)10-11(8,9)6-2/h5-6H2,1-4H3
InChIKeyCOSFKUSQNGZOFC-UHFFFAOYSA-N
MW182.17 g/mol
LogP3.37
Rot. Bonds4

About 2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane

2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane (PubChem CID 574786) has the molecular formula C7H16FO2P and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane.

Molecular Properties

Compound Name2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane
PubChem CID574786
Molecular FormulaC7H16FO2P
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane
SMILESCCC(C)(C)OP(=O)(F)CC
InChIInChI=1S/C7H16FO2P/c1-5-7(3,4)10-11(8,9)6-2/h5-6H2,1-4H3
InChIKeyCOSFKUSQNGZOFC-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane?
The IUPAC name of 2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane (CID 574786) is 2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane.
What is the SMILES notation for 2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane?
The canonical SMILES for 2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane is CCC(C)(C)OP(=O)(F)CC.
What is the InChIKey of 2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane?
The InChIKey is COSFKUSQNGZOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FO2P/c1-5-7(3,4)10-11(8,9)6-2/h5-6H2,1-4H3.
What are the key properties of 2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane?
2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane has a molecular weight of 182.17 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(fluoro)phosphoryl]oxy-2-methylbutane is sourced from PubChem (CID 574786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).