N-(1-fluoroethyl)acetamide

C4H8FNO — CID 123354067

IUPACN-(1-fluoroethyl)acetamide
SMILESCC(=O)NC(C)F
InChIInChI=1S/C4H8FNO/c1-3(5)6-4(2)7/h3H,1-2H3,(H,6,7)
InChIKeyAFESYQMHGYQTTK-UHFFFAOYSA-N
MW105.11 g/mol
LogP0.44
Rot. Bonds1

About N-(1-fluoroethyl)acetamide

N-(1-fluoroethyl)acetamide (PubChem CID 123354067) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is N-(1-fluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-fluoroethyl)acetamide
PubChem CID123354067
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC NameN-(1-fluoroethyl)acetamide
SMILESCC(=O)NC(C)F
InChIInChI=1S/C4H8FNO/c1-3(5)6-4(2)7/h3H,1-2H3,(H,6,7)
InChIKeyAFESYQMHGYQTTK-UHFFFAOYSA-N
XLogP0.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
methyl N-(1-fluoroethyl)carbamate
CID 166647333
N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide
CID 131852383
N-[1-(hydroxyamino)ethyl]acetamide;molecular hydrogen
CID 142966371
N-[1-(methylamino)ethyl]acetamide
CID 87728985
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
N-[1-(diaminomethylideneamino)ethyl]acetamide
CID 88609974
N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide
CID 45119229
(3R)-3-fluorobutan-2-one
CID 638120
N-[1-(dimethylamino)ethyl]acetamide
CID 55287286
N-[(2R,3R)-3-bromobutan-2-yl]acetamide
CID 130631438
(2S)-2-acetamidopropanoate
CID 6926438

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroethyl)acetamide?
The IUPAC name of N-(1-fluoroethyl)acetamide (CID 123354067) is N-(1-fluoroethyl)acetamide.
What is the SMILES notation for N-(1-fluoroethyl)acetamide?
The canonical SMILES for N-(1-fluoroethyl)acetamide is CC(=O)NC(C)F.
What is the InChIKey of N-(1-fluoroethyl)acetamide?
The InChIKey is AFESYQMHGYQTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-3(5)6-4(2)7/h3H,1-2H3,(H,6,7).
What are the key properties of N-(1-fluoroethyl)acetamide?
N-(1-fluoroethyl)acetamide has a molecular weight of 105.11 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroethyl)acetamide is sourced from PubChem (CID 123354067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).