N-(1-fluoro-3-oxopropyl)butanamide

C7H12FNO2 — CID 174818698

IUPACN-(1-fluoro-3-oxopropyl)butanamide
SMILESCCCC(=O)NC(F)CC=O
InChIInChI=1S/C7H12FNO2/c1-2-3-7(11)9-6(8)4-5-10/h5-6H,2-4H2,1H3,(H,9,11)
InChIKeyKUBPDVCNIZACHM-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.79
Rot. Bonds5

About N-(1-fluoro-3-oxopropyl)butanamide

N-(1-fluoro-3-oxopropyl)butanamide (PubChem CID 174818698) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is N-(1-fluoro-3-oxopropyl)butanamide.

Molecular Properties

Compound NameN-(1-fluoro-3-oxopropyl)butanamide
PubChem CID174818698
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC NameN-(1-fluoro-3-oxopropyl)butanamide
SMILESCCCC(=O)NC(F)CC=O
InChIInChI=1S/C7H12FNO2/c1-2-3-7(11)9-6(8)4-5-10/h5-6H,2-4H2,1H3,(H,9,11)
InChIKeyKUBPDVCNIZACHM-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-3-oxopropyl)butanamide?
The IUPAC name of N-(1-fluoro-3-oxopropyl)butanamide (CID 174818698) is N-(1-fluoro-3-oxopropyl)butanamide.
What is the SMILES notation for N-(1-fluoro-3-oxopropyl)butanamide?
The canonical SMILES for N-(1-fluoro-3-oxopropyl)butanamide is CCCC(=O)NC(F)CC=O.
What is the InChIKey of N-(1-fluoro-3-oxopropyl)butanamide?
The InChIKey is KUBPDVCNIZACHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-2-3-7(11)9-6(8)4-5-10/h5-6H,2-4H2,1H3,(H,9,11).
What are the key properties of N-(1-fluoro-3-oxopropyl)butanamide?
N-(1-fluoro-3-oxopropyl)butanamide has a molecular weight of 161.18 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-3-oxopropyl)butanamide is sourced from PubChem (CID 174818698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).