2-fluoro-N-(3-oxopropyl)acetamide

C5H8FNO2 — CID 174769410

IUPAC2-fluoro-N-(3-oxopropyl)acetamide
SMILESO=CCCNC(=O)CF
InChIInChI=1S/C5H8FNO2/c6-4-5(9)7-2-1-3-8/h3H,1-2,4H2,(H,7,9)
InChIKeyPFTHONUUCKCMMI-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.34
Rot. Bonds4

About 2-fluoro-N-(3-oxopropyl)acetamide

2-fluoro-N-(3-oxopropyl)acetamide (PubChem CID 174769410) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 2-fluoro-N-(3-oxopropyl)acetamide.

Molecular Properties

Compound Name2-fluoro-N-(3-oxopropyl)acetamide
PubChem CID174769410
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name2-fluoro-N-(3-oxopropyl)acetamide
SMILESO=CCCNC(=O)CF
InChIInChI=1S/C5H8FNO2/c6-4-5(9)7-2-1-3-8/h3H,1-2,4H2,(H,7,9)
InChIKeyPFTHONUUCKCMMI-UHFFFAOYSA-N
XLogP-0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Acetamidopropanal
CID 5460495
3-Acetamidobutanal
CID 21393674
Acetamide, 2,2,2-trifluoro-N-(4-oxobutyl)-
CID 11126922
3-Acetamido-2-methylpropanal
CID 11367000
2-Azapentan-1,5-dion
CID 18314545
Bis-oxopropylamine
CID 54044358
N-(3-oxopropyl)trifluoroacetamide
CID 14183813
N-(1,1,1-Trifluoro-4-oxo-2-butanyl)acetamide
CID 45119407
3-[(2-Fluoroacetyl)amino]propanamide
CID 57178677
2,2,3,3,4,4,4-heptafluoro-N-(3-oxopropyl)butanamide
CID 88066311
3-Oxo-3-(propylamino)propanoyl fluoride
CID 90168243
N-(3-oxopropyl)carbamoyl fluoride
CID 118017278

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-oxopropyl)acetamide?
The IUPAC name of 2-fluoro-N-(3-oxopropyl)acetamide (CID 174769410) is 2-fluoro-N-(3-oxopropyl)acetamide.
What is the SMILES notation for 2-fluoro-N-(3-oxopropyl)acetamide?
The canonical SMILES for 2-fluoro-N-(3-oxopropyl)acetamide is O=CCCNC(=O)CF.
What is the InChIKey of 2-fluoro-N-(3-oxopropyl)acetamide?
The InChIKey is PFTHONUUCKCMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-4-5(9)7-2-1-3-8/h3H,1-2,4H2,(H,7,9).
What are the key properties of 2-fluoro-N-(3-oxopropyl)acetamide?
2-fluoro-N-(3-oxopropyl)acetamide has a molecular weight of 133.12 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-oxopropyl)acetamide is sourced from PubChem (CID 174769410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).