1-diethoxyphosphoryl-1-fluoro-4-methylpentane

C10H22FO3P — CID 10681487

IUPAC1-diethoxyphosphoryl-1-fluoro-4-methylpentane
SMILESCCOP(=O)(OCC)C(F)CCC(C)C
InChIInChI=1S/C10H22FO3P/c1-5-13-15(12,14-6-2)10(11)8-7-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyWHJILAKNKYVCAG-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.98
Rot. Bonds8

About 1-diethoxyphosphoryl-1-fluoro-4-methylpentane

1-diethoxyphosphoryl-1-fluoro-4-methylpentane (PubChem CID 10681487) has the molecular formula C10H22FO3P and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-fluoro-4-methylpentane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-fluoro-4-methylpentane
PubChem CID10681487
Molecular FormulaC10H22FO3P
Molecular Weight240.25 g/mol
Exact Mass240.13
IUPAC Name1-diethoxyphosphoryl-1-fluoro-4-methylpentane
SMILESCCOP(=O)(OCC)C(F)CCC(C)C
InChIInChI=1S/C10H22FO3P/c1-5-13-15(12,14-6-2)10(11)8-7-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyWHJILAKNKYVCAG-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diethoxyphosphoryl-1-fluoro-4-methylpentane?
The IUPAC name of 1-diethoxyphosphoryl-1-fluoro-4-methylpentane (CID 10681487) is 1-diethoxyphosphoryl-1-fluoro-4-methylpentane.
What is the SMILES notation for 1-diethoxyphosphoryl-1-fluoro-4-methylpentane?
The canonical SMILES for 1-diethoxyphosphoryl-1-fluoro-4-methylpentane is CCOP(=O)(OCC)C(F)CCC(C)C.
What is the InChIKey of 1-diethoxyphosphoryl-1-fluoro-4-methylpentane?
The InChIKey is WHJILAKNKYVCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FO3P/c1-5-13-15(12,14-6-2)10(11)8-7-9(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-1-fluoro-4-methylpentane?
1-diethoxyphosphoryl-1-fluoro-4-methylpentane has a molecular weight of 240.25 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-fluoro-4-methylpentane is sourced from PubChem (CID 10681487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).