1-diethoxyphosphoryl-1,1-difluorohexane

C10H21F2O3P — CID 10445215

IUPAC1-diethoxyphosphoryl-1,1-difluorohexane
SMILESCCCCCC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H21F2O3P/c1-4-7-8-9-10(11,12)16(13,14-5-2)15-6-3/h4-9H2,1-3H3
InChIKeyYXKHQKZHPQZLSZ-UHFFFAOYSA-N
MW258.24 g/mol
LogP4.43
Rot. Bonds9

About 1-diethoxyphosphoryl-1,1-difluorohexane

1-diethoxyphosphoryl-1,1-difluorohexane (PubChem CID 10445215) has the molecular formula C10H21F2O3P and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1-difluorohexane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1-difluorohexane
PubChem CID10445215
Molecular FormulaC10H21F2O3P
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name1-diethoxyphosphoryl-1,1-difluorohexane
SMILESCCCCCC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H21F2O3P/c1-4-7-8-9-10(11,12)16(13,14-5-2)15-6-3/h4-9H2,1-3H3
InChIKeyYXKHQKZHPQZLSZ-UHFFFAOYSA-N
XLogP4.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1-difluorohexane?
The IUPAC name of 1-diethoxyphosphoryl-1,1-difluorohexane (CID 10445215) is 1-diethoxyphosphoryl-1,1-difluorohexane.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1-difluorohexane?
The canonical SMILES for 1-diethoxyphosphoryl-1,1-difluorohexane is CCCCCC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1,1-difluorohexane?
The InChIKey is YXKHQKZHPQZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2O3P/c1-4-7-8-9-10(11,12)16(13,14-5-2)15-6-3/h4-9H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1,1-difluorohexane?
1-diethoxyphosphoryl-1,1-difluorohexane has a molecular weight of 258.24 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1-difluorohexane is sourced from PubChem (CID 10445215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).