[diethylphosphanyl(fluoro)methyl]-diethylphosphane

C9H21FP2 — CID 57177496

IUPAC[diethylphosphanyl(fluoro)methyl]-diethylphosphane
SMILESCCP(CC)C(F)P(CC)CC
InChIInChI=1S/C9H21FP2/c1-5-11(6-2)9(10)12(7-3)8-4/h9H,5-8H2,1-4H3
InChIKeySOMOLTOOABIFFQ-UHFFFAOYSA-N
MW210.21 g/mol
LogP4.28
Rot. Bonds6

About [diethylphosphanyl(fluoro)methyl]-diethylphosphane

[diethylphosphanyl(fluoro)methyl]-diethylphosphane (PubChem CID 57177496) has the molecular formula C9H21FP2 and a molecular weight of 210.21 g/mol. Its IUPAC name is [diethylphosphanyl(fluoro)methyl]-diethylphosphane.

Molecular Properties

Compound Name[diethylphosphanyl(fluoro)methyl]-diethylphosphane
PubChem CID57177496
Molecular FormulaC9H21FP2
Molecular Weight210.21 g/mol
Exact Mass210.11
IUPAC Name[diethylphosphanyl(fluoro)methyl]-diethylphosphane
SMILESCCP(CC)C(F)P(CC)CC
InChIInChI=1S/C9H21FP2/c1-5-11(6-2)9(10)12(7-3)8-4/h9H,5-8H2,1-4H3
InChIKeySOMOLTOOABIFFQ-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diethylphosphanyl(fluoro)methyl]-diethylphosphane?
The IUPAC name of [diethylphosphanyl(fluoro)methyl]-diethylphosphane (CID 57177496) is [diethylphosphanyl(fluoro)methyl]-diethylphosphane.
What is the SMILES notation for [diethylphosphanyl(fluoro)methyl]-diethylphosphane?
The canonical SMILES for [diethylphosphanyl(fluoro)methyl]-diethylphosphane is CCP(CC)C(F)P(CC)CC.
What is the InChIKey of [diethylphosphanyl(fluoro)methyl]-diethylphosphane?
The InChIKey is SOMOLTOOABIFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FP2/c1-5-11(6-2)9(10)12(7-3)8-4/h9H,5-8H2,1-4H3.
What are the key properties of [diethylphosphanyl(fluoro)methyl]-diethylphosphane?
[diethylphosphanyl(fluoro)methyl]-diethylphosphane has a molecular weight of 210.21 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [diethylphosphanyl(fluoro)methyl]-diethylphosphane is sourced from PubChem (CID 57177496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).