N-acetyl-N-methylcarbamoyl fluoride

C4H6FNO2 — CID 135060543

IUPACN-acetyl-N-methylcarbamoyl fluoride
SMILESCC(=O)N(C)C(=O)F
InChIInChI=1S/C4H6FNO2/c1-3(7)6(2)4(5)8/h1-2H3
InChIKeyIQLZEHBZGPEQDW-UHFFFAOYSA-N
MW119.09 g/mol
LogP0.55
Rot. Bonds

About N-acetyl-N-methylcarbamoyl fluoride

N-acetyl-N-methylcarbamoyl fluoride (PubChem CID 135060543) has the molecular formula C4H6FNO2 and a molecular weight of 119.09 g/mol. Its IUPAC name is N-acetyl-N-methylcarbamoyl fluoride.

Molecular Properties

Compound NameN-acetyl-N-methylcarbamoyl fluoride
PubChem CID135060543
Molecular FormulaC4H6FNO2
Molecular Weight119.09 g/mol
Exact Mass119.04
IUPAC NameN-acetyl-N-methylcarbamoyl fluoride
SMILESCC(=O)N(C)C(=O)F
InChIInChI=1S/C4H6FNO2/c1-3(7)6(2)4(5)8/h1-2H3
InChIKeyIQLZEHBZGPEQDW-UHFFFAOYSA-N
XLogP0.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.09
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methyldiacetamide
CID 14214
2-fluoro-N,N-dimethylacetamide
CID 5323646
N,N-diformylacetamide
CID 8063338
N-formyl-N-methylacetamide
CID 14417887
N-acetyl-2,2-difluoro-N-methylacetamide
CID 58658233
N-acetyl-2,2,2-trifluoro-N-methylacetamide
CID 58658247
2-fluoro-N-(2-fluoroacetyl)-N-methylacetamide
CID 59927286
N-(fluoromethyl)-N-methylacetamide
CID 87765027
N,N-bis(fluoromethyl)acetamide
CID 87765028
2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide
CID 118071446
N-ethyl-2-fluoro-N-(2-fluoroacetyl)acetamide
CID 156678165
Acetyl-(fluoromethyl)-dimethylazanium
CID 141079820

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-methylcarbamoyl fluoride?
The IUPAC name of N-acetyl-N-methylcarbamoyl fluoride (CID 135060543) is N-acetyl-N-methylcarbamoyl fluoride.
What is the SMILES notation for N-acetyl-N-methylcarbamoyl fluoride?
The canonical SMILES for N-acetyl-N-methylcarbamoyl fluoride is CC(=O)N(C)C(=O)F.
What is the InChIKey of N-acetyl-N-methylcarbamoyl fluoride?
The InChIKey is IQLZEHBZGPEQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO2/c1-3(7)6(2)4(5)8/h1-2H3.
What are the key properties of N-acetyl-N-methylcarbamoyl fluoride?
N-acetyl-N-methylcarbamoyl fluoride has a molecular weight of 119.09 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-methylcarbamoyl fluoride is sourced from PubChem (CID 135060543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).