tetramethylazanium;trifluoromethanol

C5H13F3NO+ — CID 170923135

IUPACtetramethylazanium;trifluoromethanol
SMILESC[N+](C)(C)C.OC(F)(F)F
InChIInChI=1S/C4H12N.CHF3O/c1-5(2,3)4;2-1(3,4)5/h1-4H3;5H/q+1;
InChIKeySNWDIXIWGHWDSO-UHFFFAOYSA-N
MW160.16 g/mol
LogP0.82
Rot. Bonds

About tetramethylazanium;trifluoromethanol

tetramethylazanium;trifluoromethanol (PubChem CID 170923135) has the molecular formula C5H13F3NO+ and a molecular weight of 160.16 g/mol. Its IUPAC name is tetramethylazanium;trifluoromethanol.

Molecular Properties

Compound Nametetramethylazanium;trifluoromethanol
PubChem CID170923135
Molecular FormulaC5H13F3NO+
Molecular Weight160.16 g/mol
Exact Mass160.09
IUPAC Nametetramethylazanium;trifluoromethanol
SMILESC[N+](C)(C)C.OC(F)(F)F
InChIInChI=1S/C4H12N.CHF3O/c1-5(2,3)4;2-1(3,4)5/h1-4H3;5H/q+1;
InChIKeySNWDIXIWGHWDSO-UHFFFAOYSA-N
XLogP0.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 50.82
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 tetramethylazanium;trifluoromethanol?
The IUPAC name of tetramethylazanium;trifluoromethanol (CID 170923135) is tetramethylazanium;trifluoromethanol.
What is the SMILES notation for tetramethylazanium;trifluoromethanol?
The canonical SMILES for tetramethylazanium;trifluoromethanol is C[N+](C)(C)C.OC(F)(F)F.
What is the InChIKey of tetramethylazanium;trifluoromethanol?
The InChIKey is SNWDIXIWGHWDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.CHF3O/c1-5(2,3)4;2-1(3,4)5/h1-4H3;5H/q+1;.
What are the key properties of tetramethylazanium;trifluoromethanol?
tetramethylazanium;trifluoromethanol has a molecular weight of 160.16 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;trifluoromethanol is sourced from PubChem (CID 170923135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).