1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane

C8H18FO2P — CID 574941

IUPAC1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane
SMILESCCP(=O)(F)OCC(C)C(C)C
InChIInChI=1S/C8H18FO2P/c1-5-12(9,10)11-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyVOJDDDMYOMCDNZ-UHFFFAOYSA-N
MW196.20 g/mol
LogP3.48
Rot. Bonds5

About 1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane

1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane (PubChem CID 574941) has the molecular formula C8H18FO2P and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane.

Molecular Properties

Compound Name1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane
PubChem CID574941
Molecular FormulaC8H18FO2P
Molecular Weight196.20 g/mol
Exact Mass196.10
IUPAC Name1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane
SMILESCCP(=O)(F)OCC(C)C(C)C
InChIInChI=1S/C8H18FO2P/c1-5-12(9,10)11-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyVOJDDDMYOMCDNZ-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 53.48
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(fluoro)phosphoryl]oxy-2,3-dimethylbutane?
The IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane (CID 574941) is 1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane.
What is the SMILES notation for 1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane?
The canonical SMILES for 1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane is CCP(=O)(F)OCC(C)C(C)C.
What is the InChIKey of 1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane?
The InChIKey is VOJDDDMYOMCDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FO2P/c1-5-12(9,10)11-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane?
1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane has a molecular weight of 196.20 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(fluoro)phosphoryl]oxy-2,3-dimethylbutane is sourced from PubChem (CID 574941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).