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

C7H12FNO2 — CID 174818881

IUPACN-(2-fluoro-3-oxopropyl)butanamide
SMILESCCCC(=O)NCC(F)C=O
InChIInChI=1S/C7H12FNO2/c1-2-3-7(11)9-4-6(8)5-10/h5-6H,2-4H2,1H3,(H,9,11)
InChIKeyJNMRWFHOIISBMP-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.44
Rot. Bonds5

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

N-(2-fluoro-3-oxopropyl)butanamide (PubChem CID 174818881) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is N-(2-fluoro-3-oxopropyl)butanamide.

Molecular Properties

Compound NameN-(2-fluoro-3-oxopropyl)butanamide
PubChem CID174818881
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC NameN-(2-fluoro-3-oxopropyl)butanamide
SMILESCCCC(=O)NCC(F)C=O
InChIInChI=1S/C7H12FNO2/c1-2-3-7(11)9-4-6(8)5-10/h5-6H,2-4H2,1H3,(H,9,11)
InChIKeyJNMRWFHOIISBMP-UHFFFAOYSA-N
XLogP0.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Acetamidopropanal
CID 5460495
4-Acetamidobutanal
CID 440850
3-Acetamidobutanal
CID 21393674
3-Methyl-N-(3-oxopropyl)butanamide
CID 22960330
Acetamide, 2,2,2-trifluoro-N-(4-oxobutyl)-
CID 11126922
3-Acetamido-2-methylpropanal
CID 11367000
N-(2-oxoethyl)butyramide
CID 28344998
delta-Acetamidovaleraldehyde
CID 55288109
N-(3-oxopropyl)trifluoroacetamide
CID 14183813
N-(1,1,1-Trifluoro-4-oxo-2-butanyl)acetamide
CID 45119407
N-ethyl-4-fluorobutanamide
CID 54030971
N-(2-fluoroethyl)butanamide
CID 59383104

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-oxopropyl)butanamide?
The IUPAC name of N-(2-fluoro-3-oxopropyl)butanamide (CID 174818881) is N-(2-fluoro-3-oxopropyl)butanamide.
What is the SMILES notation for N-(2-fluoro-3-oxopropyl)butanamide?
The canonical SMILES for N-(2-fluoro-3-oxopropyl)butanamide is CCCC(=O)NCC(F)C=O.
What is the InChIKey of N-(2-fluoro-3-oxopropyl)butanamide?
The InChIKey is JNMRWFHOIISBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-2-3-7(11)9-4-6(8)5-10/h5-6H,2-4H2,1H3,(H,9,11).
What are the key properties of N-(2-fluoro-3-oxopropyl)butanamide?
N-(2-fluoro-3-oxopropyl)butanamide has a molecular weight of 161.18 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-oxopropyl)butanamide is sourced from PubChem (CID 174818881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).