trimethyl(trifluoromethyl)azanium fluoride

C4H9F4N — CID 158312207

IUPACtrimethyl(trifluoromethyl)azanium fluoride
SMILESC[N+](C)(C)C(F)(F)F.[F-]
InChIInChI=1S/C4H9F3N.FH/c1-8(2,3)4(5,6)7;/h1-3H3;1H/q+1;/p-1
InChIKeyGNUVHBHWBYAYHV-UHFFFAOYSA-M
MW147.12 g/mol
LogP-1.78
Rot. Bonds

About trimethyl(trifluoromethyl)azanium fluoride

trimethyl(trifluoromethyl)azanium fluoride (PubChem CID 158312207) has the molecular formula C4H9F4N and a molecular weight of 147.12 g/mol. Its IUPAC name is trimethyl(trifluoromethyl)azanium fluoride.

Molecular Properties

Compound Nametrimethyl(trifluoromethyl)azanium fluoride
PubChem CID158312207
Molecular FormulaC4H9F4N
Molecular Weight147.12 g/mol
Exact Mass147.07
IUPAC Nametrimethyl(trifluoromethyl)azanium fluoride
SMILESC[N+](C)(C)C(F)(F)F.[F-]
InChIInChI=1S/C4H9F3N.FH/c1-8(2,3)4(5,6)7;/h1-3H3;1H/q+1;/p-1
InChIKeyGNUVHBHWBYAYHV-UHFFFAOYSA-M
XLogP-1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl(trifluoromethyl)azanium
CID 12654533
Difluoromethyl(trimethyl)azanium
CID 13440986
Fluoroform;tetramethylazanium
CID 22401043
Dimethyl-bis(trifluoromethyl)azanium
CID 22460902
CID 45087477
CID 45087477
Tetrakis(difluoromethyl)azanium
CID 57031705
Methyl-tris(trifluoromethyl)azanium
CID 87100012
Trimethyl(1,1,2,2,2-pentafluoroethyl)azanium
CID 87694541
1-fluoro-N-(fluoromethyl)-N-methylmethanamine;1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine
CID 158402630
Methane;trimethyl(trifluoromethyl)azanium;fluoride
CID 160166721
N,N-dimethylmethanamine;fluoroform
CID 171924613
N,N-dimethylmethanamine;1,1,1,2,2-pentafluoroethane
CID 174399359

Frequently Asked Questions

What is the IUPAC name of trimethyl(trifluoromethyl)azanium fluoride?
The IUPAC name of trimethyl(trifluoromethyl)azanium fluoride (CID 158312207) is trimethyl(trifluoromethyl)azanium fluoride.
What is the SMILES notation for trimethyl(trifluoromethyl)azanium fluoride?
The canonical SMILES for trimethyl(trifluoromethyl)azanium fluoride is C[N+](C)(C)C(F)(F)F.[F-].
What is the InChIKey of trimethyl(trifluoromethyl)azanium fluoride?
The InChIKey is GNUVHBHWBYAYHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9F3N.FH/c1-8(2,3)4(5,6)7;/h1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(trifluoromethyl)azanium fluoride?
trimethyl(trifluoromethyl)azanium fluoride has a molecular weight of 147.12 g/mol, XLogP of -1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(trifluoromethyl)azanium fluoride is sourced from PubChem (CID 158312207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).