tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid

C11H21F6NO4P- — CID 159866506

IUPACtert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid
SMILESCC(C)(C)[N-]C(C)(CCC(F)(F)F)CC(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C11H18F6N.H3O4P/c1-8(2,3)18-9(4,7-11(15,16)17)5-6-10(12,13)14;1-5(2,3)4/h5-7H2,1-4H3;(H3,1,2,3,4)/q-1;
InChIKeyNRUIBJQRXAQXLO-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.28
Rot. Bonds4

About tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid

tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid (PubChem CID 159866506) has the molecular formula C11H21F6NO4P- and a molecular weight of 376.25 g/mol. Its IUPAC name is tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid.

Molecular Properties

Compound Nametert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid
PubChem CID159866506
Molecular FormulaC11H21F6NO4P-
Molecular Weight376.25 g/mol
Exact Mass376.11
IUPAC Nametert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid
SMILESCC(C)(C)[N-]C(C)(CCC(F)(F)F)CC(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C11H18F6N.H3O4P/c1-8(2,3)18-9(4,7-11(15,16)17)5-6-10(12,13)14;1-5(2,3)4/h5-7H2,1-4H3;(H3,1,2,3,4)/q-1;
InChIKeyNRUIBJQRXAQXLO-UHFFFAOYSA-N
XLogP4.28
TPSA91.86 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1,1,1-trifluoro-3-(2,2,2-trifluoroethyl)hexan-3-yl]phosphonic acid
CID 87156096
methylphosphonic acid;bis(4,4,4-trifluorobutan-1-amine)
CID 171929841
phosphoric acid;propan-2-yl-[1,1,1-trifluoro-3-(2,2,2-trifluoroethyl)docosan-3-yl]azanide
CID 159940335
1,1-difluoroethylphosphonic acid
CID 23183684
(1,1,1,5,5,5-hexafluoro-3-methylpentan-3-yl)-propan-2-ylazanide
CID 158348738
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
phosphoric acid;tris(2,4,4-trimethylpentan-2-ol)
CID 71361678
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
8,8,8-trifluorooctylphosphonic acid
CID 152742965
1,1,2,2,3,3,6,6,6-nonafluorohexyl dihydrogen phosphate
CID 87764854
bromo(trifluoro)methane;phosphoric acid
CID 172736690
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid?
The IUPAC name of tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid (CID 159866506) is tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid.
What is the SMILES notation for tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid?
The canonical SMILES for tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid is CC(C)(C)[N-]C(C)(CCC(F)(F)F)CC(F)(F)F.O=P(O)(O)O.
What is the InChIKey of tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid?
The InChIKey is NRUIBJQRXAQXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6N.H3O4P/c1-8(2,3)18-9(4,7-11(15,16)17)5-6-10(12,13)14;1-5(2,3)4/h5-7H2,1-4H3;(H3,1,2,3,4)/q-1;.
What are the key properties of tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid?
tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid has a molecular weight of 376.25 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)azanide;phosphoric acid is sourced from PubChem (CID 159866506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).