N-(fluoromethyl)-N-methylacetamide

C4H8FNO — CID 87765027

IUPACN-(fluoromethyl)-N-methylacetamide
SMILESCC(=O)N(C)CF
InChIInChI=1S/C4H8FNO/c1-4(7)6(2)3-5/h3H2,1-2H3
InChIKeySLVWXNLGRDJJSS-UHFFFAOYSA-N
MW105.11 g/mol
LogP0.39
Rot. Bonds1

About N-(fluoromethyl)-N-methylacetamide

N-(fluoromethyl)-N-methylacetamide (PubChem CID 87765027) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is N-(fluoromethyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(fluoromethyl)-N-methylacetamide
PubChem CID87765027
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC NameN-(fluoromethyl)-N-methylacetamide
SMILESCC(=O)N(C)CF
InChIInChI=1S/C4H8FNO/c1-4(7)6(2)3-5/h3H2,1-2H3
InChIKeySLVWXNLGRDJJSS-UHFFFAOYSA-N
XLogP0.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-N-methylacetamide?
The IUPAC name of N-(fluoromethyl)-N-methylacetamide (CID 87765027) is N-(fluoromethyl)-N-methylacetamide.
What is the SMILES notation for N-(fluoromethyl)-N-methylacetamide?
The canonical SMILES for N-(fluoromethyl)-N-methylacetamide is CC(=O)N(C)CF.
What is the InChIKey of N-(fluoromethyl)-N-methylacetamide?
The InChIKey is SLVWXNLGRDJJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-4(7)6(2)3-5/h3H2,1-2H3.
What are the key properties of N-(fluoromethyl)-N-methylacetamide?
N-(fluoromethyl)-N-methylacetamide has a molecular weight of 105.11 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-methylacetamide is sourced from PubChem (CID 87765027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).