[2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate

C14H26FO7P — CID 169218789

IUPAC[2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate
SMILESCC(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
InChIInChI=1S/C14H26FO7P/c1-10(15)23(18,21-8-19-11(16)13(2,3)4)22-9-20-12(17)14(5,6)7/h10H,8-9H2,1-7H3
InChIKeyWCWISEVVBFIKPB-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.62
Rot. Bonds7

About [2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate

[2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate (PubChem CID 169218789) has the molecular formula C14H26FO7P and a molecular weight of 356.33 g/mol. Its IUPAC name is [2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate
PubChem CID169218789
Molecular FormulaC14H26FO7P
Molecular Weight356.33 g/mol
Exact Mass356.14
IUPAC Name[2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate
SMILESCC(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
InChIInChI=1S/C14H26FO7P/c1-10(15)23(18,21-8-19-11(16)13(2,3)4)22-9-20-12(17)14(5,6)7/h10H,8-9H2,1-7H3
InChIKeyWCWISEVVBFIKPB-UHFFFAOYSA-N
XLogP3.62
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
The IUPAC name of [2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate (CID 169218789) is [2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for [2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for [2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate is CC(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C.
What is the InChIKey of [2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
The InChIKey is WCWISEVVBFIKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FO7P/c1-10(15)23(18,21-8-19-11(16)13(2,3)4)22-9-20-12(17)14(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of [2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate?
[2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate has a molecular weight of 356.33 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethylpropanoyloxymethoxy(1-fluoroethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 169218789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).