tetramethylazanium;2,2,2-trichloroacetic acid

C6H13Cl3NO2+ — CID 19752148

IUPACtetramethylazanium;2,2,2-trichloroacetic acid
SMILESC[N+](C)(C)C.O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H12N.C2HCl3O2/c1-5(2,3)4;3-2(4,5)1(6)7/h1-4H3;(H,6,7)/q+1;
InChIKeyKVIIKBGGNBBOEI-UHFFFAOYSA-N
MW237.53 g/mol
LogP1.76
Rot. Bonds

About tetramethylazanium;2,2,2-trichloroacetic acid

tetramethylazanium;2,2,2-trichloroacetic acid (PubChem CID 19752148) has the molecular formula C6H13Cl3NO2+ and a molecular weight of 237.53 g/mol. Its IUPAC name is tetramethylazanium;2,2,2-trichloroacetic acid.

Molecular Properties

Compound Nametetramethylazanium;2,2,2-trichloroacetic acid
PubChem CID19752148
Molecular FormulaC6H13Cl3NO2+
Molecular Weight237.53 g/mol
Exact Mass236.00
IUPAC Nametetramethylazanium;2,2,2-trichloroacetic acid
SMILESC[N+](C)(C)C.O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H12N.C2HCl3O2/c1-5(2,3)4;3-2(4,5)1(6)7/h1-4H3;(H,6,7)/q+1;
InChIKeyKVIIKBGGNBBOEI-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.53
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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propan-2-ylsilane;2,2,2-trichloroacetic acid
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CID 173188984
prop-2-enoic acid;2,2,2-trichloroacetic acid
CID 3054261
CID 6330354
CID 6330354
3,3,3-trichloro-2,2-dihydroxypropanoic acid
CID 2723815
2-bromo-2-chloropropanoic acid
CID 523004
2-chloro-2-hydroxypropanoic acid;silver
CID 175606695
2,3,4,4,4-pentachloro-2,3-bis(trichloromethyl)butanoic acid
CID 174927745
2,2,3-trichloro-3-methylbutanoic acid
CID 54283694
carbonic acid;hydrogen carbonate;tetramethylazanium
CID 175144739
propan-2-amine;2,2,2-trichloroacetic acid;2,2,3-trichloropropanoic acid
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Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;2,2,2-trichloroacetic acid?
The IUPAC name of tetramethylazanium;2,2,2-trichloroacetic acid (CID 19752148) is tetramethylazanium;2,2,2-trichloroacetic acid.
What is the SMILES notation for tetramethylazanium;2,2,2-trichloroacetic acid?
The canonical SMILES for tetramethylazanium;2,2,2-trichloroacetic acid is C[N+](C)(C)C.O=C(O)C(Cl)(Cl)Cl.
What is the InChIKey of tetramethylazanium;2,2,2-trichloroacetic acid?
The InChIKey is KVIIKBGGNBBOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.C2HCl3O2/c1-5(2,3)4;3-2(4,5)1(6)7/h1-4H3;(H,6,7)/q+1;.
What are the key properties of tetramethylazanium;2,2,2-trichloroacetic acid?
tetramethylazanium;2,2,2-trichloroacetic acid has a molecular weight of 237.53 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;2,2,2-trichloroacetic acid is sourced from PubChem (CID 19752148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).