bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane

C10H18F6O3P2 — CID 13179225

IUPACbis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane
SMILESCC(C)COP(=O)(OCC(C)C)P(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H18F6O3P2/c1-7(2)5-18-21(17,19-6-8(3)4)20(9(11,12)13)10(14,15)16/h7-8H,5-6H2,1-4H3
InChIKeyUTAHFIOQFJGHIN-UHFFFAOYSA-N
MW362.19 g/mol
LogP5.96
Rot. Bonds7

About bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane

bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane (PubChem CID 13179225) has the molecular formula C10H18F6O3P2 and a molecular weight of 362.19 g/mol. Its IUPAC name is bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane.

Molecular Properties

Compound Namebis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane
PubChem CID13179225
Molecular FormulaC10H18F6O3P2
Molecular Weight362.19 g/mol
Exact Mass362.06
IUPAC Namebis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane
SMILESCC(C)COP(=O)(OCC(C)C)P(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H18F6O3P2/c1-7(2)5-18-21(17,19-6-8(3)4)20(9(11,12)13)10(14,15)16/h7-8H,5-6H2,1-4H3
InChIKeyUTAHFIOQFJGHIN-UHFFFAOYSA-N
XLogP5.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.19
LogP ≤ 55.96
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 bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane?
The IUPAC name of bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane (CID 13179225) is bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane.
What is the SMILES notation for bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane?
The canonical SMILES for bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane is CC(C)COP(=O)(OCC(C)C)P(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane?
The InChIKey is UTAHFIOQFJGHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F6O3P2/c1-7(2)5-18-21(17,19-6-8(3)4)20(9(11,12)13)10(14,15)16/h7-8H,5-6H2,1-4H3.
What are the key properties of bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane?
bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane has a molecular weight of 362.19 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane is sourced from PubChem (CID 13179225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).