1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium

C8H13F9NO+ — CID 175151132

IUPAC1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium
SMILESC[N+](C)(C)C.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF9O.C4H12N/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-5(2,3)4/h14H;1-4H3/q;+1
InChIKeyIIMRBPHONOGLQW-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.73
Rot. Bonds

About 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium (PubChem CID 175151132) has the molecular formula C8H13F9NO+ and a molecular weight of 310.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium
PubChem CID175151132
Molecular FormulaC8H13F9NO+
Molecular Weight310.18 g/mol
Exact Mass310.08
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium
SMILESC[N+](C)(C)C.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF9O.C4H12N/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-5(2,3)4/h14H;1-4H3/q;+1
InChIKeyIIMRBPHONOGLQW-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium (CID 175151132) is 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium is C[N+](C)(C)C.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium?
The InChIKey is IIMRBPHONOGLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O.C4H12N/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-5(2,3)4/h14H;1-4H3/q;+1.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium?
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium has a molecular weight of 310.18 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium is sourced from PubChem (CID 175151132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).