dibutoxyphosphoryl-bis(trifluoromethyl)phosphane

C10H18F6O3P2 — CID 13179224

IUPACdibutoxyphosphoryl-bis(trifluoromethyl)phosphane
SMILESCCCCOP(=O)(OCCCC)P(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H18F6O3P2/c1-3-5-7-18-21(17,19-8-6-4-2)20(9(11,12)13)10(14,15)16/h3-8H2,1-2H3
InChIKeyQLQRJQJIXGFGMC-UHFFFAOYSA-N
MW362.19 g/mol
LogP6.25
Rot. Bonds9

About dibutoxyphosphoryl-bis(trifluoromethyl)phosphane

dibutoxyphosphoryl-bis(trifluoromethyl)phosphane (PubChem CID 13179224) has the molecular formula C10H18F6O3P2 and a molecular weight of 362.19 g/mol. Its IUPAC name is dibutoxyphosphoryl-bis(trifluoromethyl)phosphane.

Molecular Properties

Compound Namedibutoxyphosphoryl-bis(trifluoromethyl)phosphane
PubChem CID13179224
Molecular FormulaC10H18F6O3P2
Molecular Weight362.19 g/mol
Exact Mass362.06
IUPAC Namedibutoxyphosphoryl-bis(trifluoromethyl)phosphane
SMILESCCCCOP(=O)(OCCCC)P(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H18F6O3P2/c1-3-5-7-18-21(17,19-8-6-4-2)20(9(11,12)13)10(14,15)16/h3-8H2,1-2H3
InChIKeyQLQRJQJIXGFGMC-UHFFFAOYSA-N
XLogP6.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.19
LogP ≤ 56.25
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 dibutoxyphosphoryl-bis(trifluoromethyl)phosphane?
The IUPAC name of dibutoxyphosphoryl-bis(trifluoromethyl)phosphane (CID 13179224) is dibutoxyphosphoryl-bis(trifluoromethyl)phosphane.
What is the SMILES notation for dibutoxyphosphoryl-bis(trifluoromethyl)phosphane?
The canonical SMILES for dibutoxyphosphoryl-bis(trifluoromethyl)phosphane is CCCCOP(=O)(OCCCC)P(C(F)(F)F)C(F)(F)F.
What is the InChIKey of dibutoxyphosphoryl-bis(trifluoromethyl)phosphane?
The InChIKey is QLQRJQJIXGFGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F6O3P2/c1-3-5-7-18-21(17,19-8-6-4-2)20(9(11,12)13)10(14,15)16/h3-8H2,1-2H3.
What are the key properties of dibutoxyphosphoryl-bis(trifluoromethyl)phosphane?
dibutoxyphosphoryl-bis(trifluoromethyl)phosphane has a molecular weight of 362.19 g/mol, XLogP of 6.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxyphosphoryl-bis(trifluoromethyl)phosphane is sourced from PubChem (CID 13179224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).