bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite

C6H2F12O3P- — CID 158318190

IUPACbis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
SMILES[O-]P(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O3P/c7-3(8,9)1(4(10,11)12)20-22(19)21-2(5(13,14)15)6(16,17)18/h1-2H/q-1
InChIKeyGONHCVTZXKWSBZ-UHFFFAOYSA-N
MW381.03 g/mol
LogP3.59
Rot. Bonds4

About bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite

bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite (PubChem CID 158318190) has the molecular formula C6H2F12O3P- and a molecular weight of 381.03 g/mol. Its IUPAC name is bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite.

Molecular Properties

Compound Namebis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
PubChem CID158318190
Molecular FormulaC6H2F12O3P-
Molecular Weight381.03 g/mol
Exact Mass380.96
IUPAC Namebis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
SMILES[O-]P(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O3P/c7-3(8,9)1(4(10,11)12)20-22(19)21-2(5(13,14)15)6(16,17)18/h1-2H/q-1
InChIKeyGONHCVTZXKWSBZ-UHFFFAOYSA-N
XLogP3.59
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.03
LogP ≤ 53.59
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(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite?
The IUPAC name of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite (CID 158318190) is bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite.
What is the SMILES notation for bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite?
The canonical SMILES for bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite is [O-]P(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite?
The InChIKey is GONHCVTZXKWSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O3P/c7-3(8,9)1(4(10,11)12)20-22(19)21-2(5(13,14)15)6(16,17)18/h1-2H/q-1.
What are the key properties of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite?
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite has a molecular weight of 381.03 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite is sourced from PubChem (CID 158318190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).