methyl-tris(trifluoromethyl)azanium chloride

C4H3ClF9N — CID 87100011

IUPACmethyl-tris(trifluoromethyl)azanium chloride
SMILESC[N+](C(F)(F)F)(C(F)(F)F)C(F)(F)F.[Cl-]
InChIInChI=1S/C4H3F9N.ClH/c1-14(2(5,6)7,3(8,9)10)4(11,12)13;/h1H3;1H/q+1;/p-1
InChIKeyDDNBBCHHUAMSOE-UHFFFAOYSA-M
MW271.51 g/mol
LogP-0.00
Rot. Bonds

About methyl-tris(trifluoromethyl)azanium chloride

methyl-tris(trifluoromethyl)azanium chloride (PubChem CID 87100011) has the molecular formula C4H3ClF9N and a molecular weight of 271.51 g/mol. Its IUPAC name is methyl-tris(trifluoromethyl)azanium chloride.

Molecular Properties

Compound Namemethyl-tris(trifluoromethyl)azanium chloride
PubChem CID87100011
Molecular FormulaC4H3ClF9N
Molecular Weight271.51 g/mol
Exact Mass270.98
IUPAC Namemethyl-tris(trifluoromethyl)azanium chloride
SMILESC[N+](C(F)(F)F)(C(F)(F)F)C(F)(F)F.[Cl-]
InChIInChI=1S/C4H3F9N.ClH/c1-14(2(5,6)7,3(8,9)10)4(11,12)13;/h1H3;1H/q+1;/p-1
InChIKeyDDNBBCHHUAMSOE-UHFFFAOYSA-M
XLogP-0.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 5-0.00
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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Frequently Asked Questions

What is the IUPAC name of methyl-tris(trifluoromethyl)azanium chloride?
The IUPAC name of methyl-tris(trifluoromethyl)azanium chloride (CID 87100011) is methyl-tris(trifluoromethyl)azanium chloride.
What is the SMILES notation for methyl-tris(trifluoromethyl)azanium chloride?
The canonical SMILES for methyl-tris(trifluoromethyl)azanium chloride is C[N+](C(F)(F)F)(C(F)(F)F)C(F)(F)F.[Cl-].
What is the InChIKey of methyl-tris(trifluoromethyl)azanium chloride?
The InChIKey is DDNBBCHHUAMSOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3F9N.ClH/c1-14(2(5,6)7,3(8,9)10)4(11,12)13;/h1H3;1H/q+1;/p-1.
What are the key properties of methyl-tris(trifluoromethyl)azanium chloride?
methyl-tris(trifluoromethyl)azanium chloride has a molecular weight of 271.51 g/mol, XLogP of -0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(trifluoromethyl)azanium chloride is sourced from PubChem (CID 87100011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).