di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane

C8H14F6O3P2 — CID 13179223

IUPACdi(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane
SMILESCC(C)OP(=O)(OC(C)C)P(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14F6O3P2/c1-5(2)16-19(15,17-6(3)4)18(7(9,10)11)8(12,13)14/h5-6H,1-4H3
InChIKeyMPJKDGNKBGQTNT-UHFFFAOYSA-N
MW334.13 g/mol
LogP5.47
Rot. Bonds5

About di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane

di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane (PubChem CID 13179223) has the molecular formula C8H14F6O3P2 and a molecular weight of 334.13 g/mol. Its IUPAC name is di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane.

Molecular Properties

Compound Namedi(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane
PubChem CID13179223
Molecular FormulaC8H14F6O3P2
Molecular Weight334.13 g/mol
Exact Mass334.03
IUPAC Namedi(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane
SMILESCC(C)OP(=O)(OC(C)C)P(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14F6O3P2/c1-5(2)16-19(15,17-6(3)4)18(7(9,10)11)8(12,13)14/h5-6H,1-4H3
InChIKeyMPJKDGNKBGQTNT-UHFFFAOYSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.13
LogP ≤ 55.47
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 di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane?
The IUPAC name of di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane (CID 13179223) is di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane.
What is the SMILES notation for di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane?
The canonical SMILES for di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane is CC(C)OP(=O)(OC(C)C)P(C(F)(F)F)C(F)(F)F.
What is the InChIKey of di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane?
The InChIKey is MPJKDGNKBGQTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F6O3P2/c1-5(2)16-19(15,17-6(3)4)18(7(9,10)11)8(12,13)14/h5-6H,1-4H3.
What are the key properties of di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane?
di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane has a molecular weight of 334.13 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane is sourced from PubChem (CID 13179223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).