tributyl(difluoro)-λ5-phosphane

C12H27F2P — CID 6424901

IUPACtributyl(difluoro)-λ5-phosphane
SMILESCCCCP(F)(F)(CCCC)CCCC
InChIInChI=1S/C12H27F2P/c1-4-7-10-15(13,14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKeyAPKKWPPOUZNCEO-UHFFFAOYSA-N
MW240.32 g/mol
LogP5.71
Rot. Bonds9

About tributyl(difluoro)-λ5-phosphane

tributyl(difluoro)-λ5-phosphane (PubChem CID 6424901) has the molecular formula C12H27F2P and a molecular weight of 240.32 g/mol. Its IUPAC name is tributyl(difluoro)-λ5-phosphane.

Molecular Properties

Compound Nametributyl(difluoro)-λ5-phosphane
PubChem CID6424901
Molecular FormulaC12H27F2P
Molecular Weight240.32 g/mol
Exact Mass240.18
IUPAC Nametributyl(difluoro)-λ5-phosphane
SMILESCCCCP(F)(F)(CCCC)CCCC
InChIInChI=1S/C12H27F2P/c1-4-7-10-15(13,14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKeyAPKKWPPOUZNCEO-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.32
LogP ≤ 55.71
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 tributyl(difluoro)-λ5-phosphane?
The IUPAC name of tributyl(difluoro)-λ5-phosphane (CID 6424901) is tributyl(difluoro)-λ5-phosphane.
What is the SMILES notation for tributyl(difluoro)-λ5-phosphane?
The canonical SMILES for tributyl(difluoro)-λ5-phosphane is CCCCP(F)(F)(CCCC)CCCC.
What is the InChIKey of tributyl(difluoro)-λ5-phosphane?
The InChIKey is APKKWPPOUZNCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27F2P/c1-4-7-10-15(13,14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3.
What are the key properties of tributyl(difluoro)-λ5-phosphane?
tributyl(difluoro)-λ5-phosphane has a molecular weight of 240.32 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(difluoro)-λ5-phosphane is sourced from PubChem (CID 6424901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).