fluoromethyl(trimethyl)azanium

C4H11FN+ — CID 13440975

IUPACfluoromethyl(trimethyl)azanium
SMILESC[N+](C)(C)CF
InChIInChI=1S/C4H11FN/c1-6(2,3)4-5/h4H2,1-3H3/q+1
InChIKeyQXEVHHBMBFYNSD-UHFFFAOYSA-N
MW92.14 g/mol
LogP0.62
Rot. Bonds1

About fluoromethyl(trimethyl)azanium

fluoromethyl(trimethyl)azanium (PubChem CID 13440975) has the molecular formula C4H11FN+ and a molecular weight of 92.14 g/mol. Its IUPAC name is fluoromethyl(trimethyl)azanium.

Molecular Properties

Compound Namefluoromethyl(trimethyl)azanium
PubChem CID13440975
Molecular FormulaC4H11FN+
Molecular Weight92.14 g/mol
Exact Mass92.09
IUPAC Namefluoromethyl(trimethyl)azanium
SMILESC[N+](C)(C)CF
InChIInChI=1S/C4H11FN/c1-6(2,3)4-5/h4H2,1-3H3/q+1
InChIKeyQXEVHHBMBFYNSD-UHFFFAOYSA-N
XLogP0.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 50.62
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 fluoromethyl(trimethyl)azanium?
The IUPAC name of fluoromethyl(trimethyl)azanium (CID 13440975) is fluoromethyl(trimethyl)azanium.
What is the SMILES notation for fluoromethyl(trimethyl)azanium?
The canonical SMILES for fluoromethyl(trimethyl)azanium is C[N+](C)(C)CF.
What is the InChIKey of fluoromethyl(trimethyl)azanium?
The InChIKey is QXEVHHBMBFYNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN/c1-6(2,3)4-5/h4H2,1-3H3/q+1.
What are the key properties of fluoromethyl(trimethyl)azanium?
fluoromethyl(trimethyl)azanium has a molecular weight of 92.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl(trimethyl)azanium is sourced from PubChem (CID 13440975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).