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

C6H14FO2P — CID 170850764

IUPAC2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane
SMILESCCP(=O)(F)OC(C)(C)C
InChIInChI=1S/C6H14FO2P/c1-5-10(7,8)9-6(2,3)4/h5H2,1-4H3
InChIKeyTVJCBDWVJXNHIG-UHFFFAOYSA-N
MW168.15 g/mol
LogP2.98
Rot. Bonds2

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

2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane (PubChem CID 170850764) has the molecular formula C6H14FO2P and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane
PubChem CID170850764
Molecular FormulaC6H14FO2P
Molecular Weight168.15 g/mol
Exact Mass168.07
IUPAC Name2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane
SMILESCCP(=O)(F)OC(C)(C)C
InChIInChI=1S/C6H14FO2P/c1-5-10(7,8)9-6(2,3)4/h5H2,1-4H3
InChIKeyTVJCBDWVJXNHIG-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 52.98
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-methylpropane?
The IUPAC name of 2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane (CID 170850764) is 2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane is CCP(=O)(F)OC(C)(C)C.
What is the InChIKey of 2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane?
The InChIKey is TVJCBDWVJXNHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO2P/c1-5-10(7,8)9-6(2,3)4/h5H2,1-4H3.
What are the key properties of 2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane?
2-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane has a molecular weight of 168.15 g/mol, XLogP of 2.98, 2 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-methylpropane is sourced from PubChem (CID 170850764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).