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

C10H11F12O3P — CID 15704788

IUPACtert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
SMILESCC(C)(C)OP(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F12O3P/c1-6(2,3)25-26(23-4(7(11,12)13)8(14,15)16)24-5(9(17,18)19)10(20,21)22/h4-5H,1-3H3
InChIKeyPADGUDFXVBFBCQ-UHFFFAOYSA-N
MW438.15 g/mol
LogP6.05
Rot. Bonds5

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

tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite (PubChem CID 15704788) has the molecular formula C10H11F12O3P and a molecular weight of 438.15 g/mol. Its IUPAC name is tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite.

Molecular Properties

Compound Nametert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
PubChem CID15704788
Molecular FormulaC10H11F12O3P
Molecular Weight438.15 g/mol
Exact Mass438.03
IUPAC Nametert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
SMILESCC(C)(C)OP(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F12O3P/c1-6(2,3)25-26(23-4(7(11,12)13)8(14,15)16)24-5(9(17,18)19)10(20,21)22/h4-5H,1-3H3
InChIKeyPADGUDFXVBFBCQ-UHFFFAOYSA-N
XLogP6.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.15
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
CID 158318190
1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane
CID 12501807
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane
CID 13418963
2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane
CID 58320049
sodium tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)boranuide
CID 132774229
di(propan-2-yloxy)-(trifluoromethyl)phosphane
CID 12886128
2-methyl-2-(1,2,2,2-tetrafluoroethoxy)propane
CID 161271475
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
CID 175979976
1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite
CID 172868430
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
Phosphonic acid, mono(1,1-dimethylethyl) ester
CID 11321076
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707

Frequently Asked Questions

What is the IUPAC name of tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite?
The IUPAC name of tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite (CID 15704788) is tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite.
What is the SMILES notation for tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite?
The canonical SMILES for tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite is CC(C)(C)OP(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite?
The InChIKey is PADGUDFXVBFBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F12O3P/c1-6(2,3)25-26(23-4(7(11,12)13)8(14,15)16)24-5(9(17,18)19)10(20,21)22/h4-5H,1-3H3.
What are the key properties of tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite?
tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite has a molecular weight of 438.15 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite is sourced from PubChem (CID 15704788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).