1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane

C11H18F7O2P — CID 12512965

IUPAC1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane
SMILESCC(C)COP(OCC(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H18F7O2P/c1-7(2)5-19-21(20-6-8(3)4)11(17,18)9(12,13)10(14,15)16/h7-8H,5-6H2,1-4H3
InChIKeyLORHZUUJAHAHOO-UHFFFAOYSA-N
MW346.22 g/mol
LogP5.43
Rot. Bonds8

About 1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane

1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane (PubChem CID 12512965) has the molecular formula C11H18F7O2P and a molecular weight of 346.22 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane
PubChem CID12512965
Molecular FormulaC11H18F7O2P
Molecular Weight346.22 g/mol
Exact Mass346.09
IUPAC Name1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane
SMILESCC(C)COP(OCC(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H18F7O2P/c1-7(2)5-19-21(20-6-8(3)4)11(17,18)9(12,13)10(14,15)16/h7-8H,5-6H2,1-4H3
InChIKeyLORHZUUJAHAHOO-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.22
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane (CID 12512965) is 1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane is CC(C)COP(OCC(C)C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane?
The InChIKey is LORHZUUJAHAHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F7O2P/c1-7(2)5-19-21(20-6-8(3)4)11(17,18)9(12,13)10(14,15)16/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane?
1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane has a molecular weight of 346.22 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropyl-bis(2-methylpropoxy)phosphane is sourced from PubChem (CID 12512965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).