1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane

C8H16F3O2P — CID 6424811

IUPAC1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane
SMILESCCP(=O)(CC(F)(F)F)OCC(C)C
InChIInChI=1S/C8H16F3O2P/c1-4-14(12,6-8(9,10)11)13-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyMSUPJGWZFWOHEI-UHFFFAOYSA-N
MW232.18 g/mol
LogP3.52
Rot. Bonds5

About 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane

1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane (PubChem CID 6424811) has the molecular formula C8H16F3O2P and a molecular weight of 232.18 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane
PubChem CID6424811
Molecular FormulaC8H16F3O2P
Molecular Weight232.18 g/mol
Exact Mass232.08
IUPAC Name1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane
SMILESCCP(=O)(CC(F)(F)F)OCC(C)C
InChIInChI=1S/C8H16F3O2P/c1-4-14(12,6-8(9,10)11)13-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyMSUPJGWZFWOHEI-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 53.52
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 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane (CID 6424811) is 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane is CCP(=O)(CC(F)(F)F)OCC(C)C.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane?
The InChIKey is MSUPJGWZFWOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3O2P/c1-4-14(12,6-8(9,10)11)13-5-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane?
1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane has a molecular weight of 232.18 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxy-2-methylpropane is sourced from PubChem (CID 6424811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).