tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide

C14H27F3N2O2 — CID 162445887

IUPACtetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide
SMILESC[N+](C)(C)C.C[N+](C)(C)c1cccc(C(F)(F)F)c1.[OH-].[OH-]
InChIInChI=1S/C10H13F3N.C4H12N.2H2O/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;1-5(2,3)4;;/h4-7H,1-3H3;1-4H3;2*1H2/q2*+1;;/p-2
InChIKeyJBWDUASCOYDDRM-UHFFFAOYSA-L
MW312.38 g/mol
LogP2.87
Rot. Bonds1

About tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide

tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide (PubChem CID 162445887) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide.

Molecular Properties

Compound Nametetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide
PubChem CID162445887
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Nametetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide
SMILESC[N+](C)(C)C.C[N+](C)(C)c1cccc(C(F)(F)F)c1.[OH-].[OH-]
InChIInChI=1S/C10H13F3N.C4H12N.2H2O/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;1-5(2,3)4;;/h4-7H,1-3H3;1-4H3;2*1H2/q2*+1;;/p-2
InChIKeyJBWDUASCOYDDRM-UHFFFAOYSA-L
XLogP2.87
TPSA60.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium
CID 158213447
[2-(dichloroamino)-2-methylpropyl]-dimethyl-[3-(trifluoromethyl)phenyl]azanium
CID 46200856
CID 57448987
CID 57448987
[3-(dichloroamino)-3-methylbutyl]-dimethyl-[3-(trifluoromethyl)phenyl]azanium
CID 46200860
tert-butylsulfanylmethyl-carbamoyl-methyl-[3-(trifluoromethyl)phenyl]azanium
CID 20568044
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
3-(trifluoromethyl)benzenethiolate
CID 6930699
[3-(trifluoromethyl)phenyl]aluminum(2+)
CID 87243472
CID 86152769
CID 86152769
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975

Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide?
The IUPAC name of tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide (CID 162445887) is tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide.
What is the SMILES notation for tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide?
The canonical SMILES for tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide is C[N+](C)(C)C.C[N+](C)(C)c1cccc(C(F)(F)F)c1.[OH-].[OH-].
What is the InChIKey of tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide?
The InChIKey is JBWDUASCOYDDRM-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H13F3N.C4H12N.2H2O/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;1-5(2,3)4;;/h4-7H,1-3H3;1-4H3;2*1H2/q2*+1;;/p-2.
What are the key properties of tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide?
tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide has a molecular weight of 312.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide is sourced from PubChem (CID 162445887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).