acetyl-(fluoromethyl)-dimethylazanium

C5H11FNO+ — CID 141079820

IUPACacetyl-(fluoromethyl)-dimethylazanium
SMILESCC(=O)[N+](C)(C)CF
InChIInChI=1S/C5H11FNO/c1-5(8)7(2,3)4-6/h4H2,1-3H3/q+1
InChIKeyAPTNBIVXDBLWDA-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.54
Rot. Bonds1

About acetyl-(fluoromethyl)-dimethylazanium

acetyl-(fluoromethyl)-dimethylazanium (PubChem CID 141079820) has the molecular formula C5H11FNO+ and a molecular weight of 120.15 g/mol. Its IUPAC name is acetyl-(fluoromethyl)-dimethylazanium.

Molecular Properties

Compound Nameacetyl-(fluoromethyl)-dimethylazanium
PubChem CID141079820
Molecular FormulaC5H11FNO+
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Nameacetyl-(fluoromethyl)-dimethylazanium
SMILESCC(=O)[N+](C)(C)CF
InChIInChI=1S/C5H11FNO/c1-5(8)7(2,3)4-6/h4H2,1-3H3/q+1
InChIKeyAPTNBIVXDBLWDA-UHFFFAOYSA-N
XLogP0.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Dimethylacetamide
CID 31374
2,2,2-Trifluoro-N,N-dimethylacetamide
CID 350491
N,N-Dimethylacetamide-d9
CID 22789542
Acetamide, N,N-diethyl-alpha-fluoro-
CID 9699
2,2-Difluoro-N,N-dimethylacetamide
CID 6432632
N,N-Dimethyl(~13~C_2_)acetamide
CID 71308854
Acetyltrimethylammonium bromide
CID 21377
N,N-Dimethylacetamide--water (1/1)
CID 21534740
N-acetyl-N-methylcarbamoyl fluoride
CID 135060543
Acetamide, N,N-dimethyl-, hydrochloride
CID 523006
2-fluoro-N,N-dimethylacetamide
CID 5323646
Acetyl(trimethyl)azanium
CID 21378

Frequently Asked Questions

What is the IUPAC name of acetyl-(fluoromethyl)-dimethylazanium?
The IUPAC name of acetyl-(fluoromethyl)-dimethylazanium (CID 141079820) is acetyl-(fluoromethyl)-dimethylazanium.
What is the SMILES notation for acetyl-(fluoromethyl)-dimethylazanium?
The canonical SMILES for acetyl-(fluoromethyl)-dimethylazanium is CC(=O)[N+](C)(C)CF.
What is the InChIKey of acetyl-(fluoromethyl)-dimethylazanium?
The InChIKey is APTNBIVXDBLWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FNO/c1-5(8)7(2,3)4-6/h4H2,1-3H3/q+1.
What are the key properties of acetyl-(fluoromethyl)-dimethylazanium?
acetyl-(fluoromethyl)-dimethylazanium has a molecular weight of 120.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-(fluoromethyl)-dimethylazanium is sourced from PubChem (CID 141079820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).